Geometry & MOs

Info

ID:

329002

PubChem CID:

126730190

Reduced:

N5H57C74 (1)

Stoich.:

A5B57C74 (1)

Weight, g/mol:

883.367496

ΔHf, kcal/mol:

295.57

Dipole, Da:

3.15

IP(EA), eV:

 -7.62(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[4-[4-(2,6-diphenylpyrimidin-4-yl)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=C(C=C(C=C4C)C5=CC=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