Geometry & MOs

Info

ID:	298430
PubChem CID:	117649437
Reduced:	ON3H33C54 (1)
Stoich.:	AB3C33D54 (1)
Weight, g/mol:	603.231063
ΔH_f, kcal/mol:	239.01
Dipole, Da:	0.67
IP(EA), eV:	-8.12(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(9-carbazol-9-ylcarbazol-3-yl)-9-(4-methoxyphenyl)carbazole

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=CC=CC=C3N2N4C5=C(C=C(C=C5)C6=CC7=C(C=C6)N(C8=CC=CC=C87)C9=CC=C(C=C9)C1=CC2=C(C=C1)OC1=CC=CC=C12)C1=CC=CC=C14

DOS

IR

Vibrations