Geometry & MOs

Info

ID:

328999

PubChem CID:

126730156

Reduced:

N5H55C73 (1)

Stoich.:

A5B55C73 (1)

Weight, g/mol:

1001.445747

ΔHf, kcal/mol:

306.82

Dipole, Da:

2.61

IP(EA), eV:

 -7.76(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CC(=NC(=N2)C3=CC=C(C=C3)C)C4=CC=C(C=C4)C5=C(C=C(C=C5)C6=CC=C(C=C6)N7C8=C(C=C(C=C8)N(C9=CC=CC=C9)C1=CC=CC=C1)C1=C7C=CC(=C1)N(C1=CC=CC=C1)C1=CC=CC=C1)C

DOS

IR

Vibrations