Geometry & MOs

Info

ID:

328987

PubChem CID:

126729971

Reduced:

N5H53C74 (1)

Stoich.:

A5B53C74 (1)

Weight, g/mol:

921.383147

ΔHf, kcal/mol:

300.95

Dipole, Da:

4.39

IP(EA), eV:

 -7.97(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[4-[4-[2,6-bis(2-methylphenyl)pyrimidin-4-yl]phenyl]-3-methylphenyl]-3,6-di(carbazol-9-yl)carbazole

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=CC(=NC(=N2)C3=CC=CC(=C3)C)C4=C(C=C(C=C4C)C5=CC=C(C=C5)C6=CC=C(C=C6)N7C8=C(C=C(C=C8)N9C1=CC=CC=C1C1=CC=CC=C19)C1=C7C=CC(=C1)N1C2=CC=CC=C2C2=CC=CC=C21)C

DOS

IR

Vibrations