Geometry & MOs

Info

ID:

316403

PubChem CID:

126630870

Reduced:

S3N5H43C76 (1)

Stoich.:

A3B5C43D76 (1)

Weight, g/mol:

1201.508347

ΔHf, kcal/mol:

384.57

Dipole, Da:

0.7

IP(EA), eV:

 -8.07(-1.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[3-[4,6-bis[4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]quinazolin-2-yl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(N2C4=CC=C(C=C4)C5=CC(=NC(=N5)C6=CC(=CC=C6)N7C8=C(C9=CC=CC=C97)C1=C(C=C8)SC2=CC=CC=C21)C1=CC=C(C=C1)N1C2=C(C4=CC=CC=C41)C1=C(C=C2)SC2=CC=CC=C21)C=CC1=C3C2=CC=CC=C2S1

DOS

IR

Vibrations