Geometry & MOs

Info

ID:

310443

PubChem CID:

126580429

Reduced:

N5H33C53 (1)

Stoich.:

A5B33C53 (1)

Weight, g/mol:

713.283098

ΔHf, kcal/mol:

305.2

Dipole, Da:

3.47

IP(EA), eV:

 -8.29(-1.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

12,12-diphenyl-11-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]indeno[2,1-a]carbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC(=CC=C3)N4C5=C(C6=CC=CC=C64)C7=C(C=C5)C(C8=CC=CC=C87)(C9=CC=CC=C9)C1=CC=CC=C1)C1=CC=CC(=C1)C#N

DOS

IR

Vibrations