Geometry & MOs

Info

ID:

328988

PubChem CID:

126729989

Reduced:

N5H47C67 (1)

Stoich.:

A5B47C67 (1)

Weight, g/mol:

997.414447

ΔHf, kcal/mol:

290.03

Dipole, Da:

3.82

IP(EA), eV:

 -7.96(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=NC(=NC(=C2)C3=CC=C(C=C3)C4=C(C=C(C=C4)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)C1=CC=CC=C1C

DOS

IR

Vibrations