Geometry & MOs

Info

ID:

329031

PubChem CID:

126730656

Reduced:

N4H42C55 (1)

Stoich.:

A4B42C55 (1)

Weight, g/mol:

772.356597

ΔHf, kcal/mol:

227.21

Dipole, Da:

2.1

IP(EA), eV:

 -7.79(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[4-[4-[2,6-bis(2-methylphenyl)pyrimidin-4-yl]phenyl]-2,5-dimethylphenyl]-N,N-diphenylcarbazol-3-amine

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=NC(=NC(=C2)C3=CC=C(C=C3)C4=C(C=C(C=C4)N5C6=C(C=C(C=C6)N(C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C95)C)C1=CC=CC(=C1)C

DOS

IR

Vibrations