Geometry & MOs

Info

ID:	442105
PubChem CID:	135249855
Reduced:	ON2H17C20 (2)
Stoich.:	AB2C17D20 (2)
Weight, g/mol:	658.330777
ΔH_f, kcal/mol:	79.81
Dipole, Da:	6.37
IP(EA), eV:	-8.52(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4,5,5-tetramethyl-2-[6-[2-phenyl-10-[5-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)pyridin-2-yl]anthracen-9-yl]pyridin-3-yl]-1,3-oxazole

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(COC(=N1)C2=CN=CC(=C2)C3=C4C=CC(=CC4=C(C5=CC=CC=C53)C6=CC(=CN=C6)C7=NC(CO7)(C)C)C8=CC=CC=C8)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(COC(=N1)C2=CN=CC(=C2)C3=C4C=CC(=CC4=C(C5=CC=CC=C53)C6=CC(=CN=C6)C7=NC(CO7)(C)C)C8=CC=CC=C8)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):