Geometry & MOs

Info

ID:	176989
PubChem CID:	76123327
Reduced:	ON4C23H24 (1)
Stoich.:	AB4C23D24 (1)
Weight, g/mol:	946.574755
ΔH_f, kcal/mol:	101.03
Dipole, Da:	6.59
IP(EA), eV:	-8.89(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,4-dimethylphenyl)-1-(2-methoxy-3,4,5,6-tetramethylphenyl)prop-2-en-1-one;1-[3-(2,4-dimethylphenyl)prop-1-enyl]-2-methoxy-3,4,5,6-tetramethylbenzene;4-[3-(5-hydroxy-2-methoxy-3,4,6-trimethylphenyl)propyl]benzene-1,3-diol

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1=CC=C(C=C1)C=C2CC(CC(=CC3=CC=C(C=C3)N=[N+]=[N-])C2=O)N(C)C

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1=CC=C(C=C1)C=C2CC(CC(=CC3=CC=C(C=C3)N=[N+]=[N-])C2=O)N(C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):