Geometry & MOs

Info

ID:

328998

PubChem CID:

126730134

Reduced:

N5H55C73 (1)

Stoich.:

A5B55C73 (1)

Weight, g/mol:

1001.445747

ΔHf, kcal/mol:

308.86

Dipole, Da:

0.97

IP(EA), eV:

 -7.54(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[4-[4-[4-[2,6-bis(4-methylphenyl)pyrimidin-4-yl]phenyl]-3-methylphenyl]phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N(C2=CC=C(C=C2)C)C3=CC4=C(C=C3)N(C5=C4C=C(C=C5)N(C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=C(C=C8)C9=C(C=C(C=C9)C1=CC=C(C=C1)C1=NC(=NC(=C1)C1=CC=CC=C1)C1=CC=CC=C1)C

DOS

IR

Vibrations