Geometry & MOs

Info

ID:

328994

PubChem CID:

126730069

Reduced:

N5H45C62 (1)

Stoich.:

A5B45C62 (1)

Weight, g/mol:

831.336196

ΔHf, kcal/mol:

254.95

Dipole, Da:

5.03

IP(EA), eV:

 -7.9(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-bis(3-methylcarbazol-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)N5C6=C(C=C(C=C6)N7C8=CC=CC=C8C9=CC=CC=C97)C1=C5C=CC(=C1)N1C2=CC=CC=C2C2=CC=CC=C21)C

DOS

IR

Vibrations