Geometry & MOs

Info

ID:

329026

PubChem CID:

126730628

Reduced:

N4H38C53 (1)

Stoich.:

A4B38C53 (1)

Weight, g/mol:

772.356597

ΔHf, kcal/mol:

246.32

Dipole, Da:

2.63

IP(EA), eV:

 -7.81(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C2=NC(=NC(=C2)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=C(C=C5)N6C7=C(C=C(C=C7)N(C8=CC=CC=C8)C9=CC=CC=C9)C1=CC=CC=C16

DOS

IR

Vibrations