Geometry & MOs

Info

ID:

328989

PubChem CID:

126729995

Reduced:

N5H51C73 (1)

Stoich.:

A5B51C73 (1)

Weight, g/mol:

831.336196

ΔHf, kcal/mol:

312.77

Dipole, Da:

2.87

IP(EA), eV:

 -7.87(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3,6-di(carbazol-9-yl)-9-[4-(2,6-diphenylpyrimidin-4-yl)-2,5-dimethylphenyl]carbazole

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N(C3=CC=CC=C32)C4=CC5=C(C=C4)N(C6=C5C=C(C=C6)N7C8=CC=CC=C8C9=CC=CC=C97)C1=CC=C(C=C1)C1=CC=C(C=C1)C1=CC=C(C=C1)C1=CC(=NC(=N1)C1=CC=CC=C1C)C1=CC=CC=C1C

DOS

IR

Vibrations