Geometry & MOs

Info

ID:

328975

PubChem CID:

126729908

Reduced:

N5H49C72 (1)

Stoich.:

A5B49C72 (1)

Weight, g/mol:

969.383147

ΔHf, kcal/mol:

321.99

Dipole, Da:

4.16

IP(EA), eV:

 -7.96(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3,6-di(carbazol-9-yl)-9-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)-3-methylphenyl]phenyl]phenyl]carbazole

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1C2=CC=C(C=C2)C3=NC(=NC(=C3)C4=CC=CC=C4)C5=CC=CC=C5)C)C6=CC=C(C=C6)N7C8=C(C=C(C=C8)N9C1=CC=CC=C1C1=CC=CC=C19)C1=C7C=CC(=C1)N1C2=CC=CC=C2C2=CC=CC=C21

DOS

IR

Vibrations