Geometry & MOs

Info

ID:	175945
PubChem CID:	75971123
Reduced:	O5H20C26 (1)
Stoich.:	A5B20C26 (1)
Weight, g/mol:	768.345089
ΔH_f, kcal/mol:	-122.97
Dipole, Da:	5.29
IP(EA), eV:	-8.95(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[3-(3-methyl-2-phenylmethoxyphenyl)prop-1-enyl]phenyl]prop-2-enoic acid;3-[3-[3-(3-methyl-2-phenylmethoxyphenyl)prop-2-enyl]phenyl]prop-2-enoic acid

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(=O)C=CC2=CC(=C(C3=C2C4=C(C=C3)C(=CC(=O)O4)C)O)C=O)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(=O)C=CC2=CC(=C(C3=C2C4=C(C=C3)C(=CC(=O)O4)C)O)C=O)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):