Geometry & MOs

Info

ID:	311660
PubChem CID:	126596844
Reduced:	ON3H21C30 (1)
Stoich.:	AB3C21D30 (1)
Weight, g/mol:	591.231063
ΔH_f, kcal/mol:	102.15
Dipole, Da:	5.57
IP(EA), eV:	-7.97(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4a,9a-dihydrocarbazol-9-yl)-3-(5-phenyl-[1]benzofuro[3,2-c]carbazol-11-yl)aniline

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=CC=CC=C3N2C4=C(C=C(C=C4)N)C5=CC6=C(C=C5)OC7=C6C=C(C=C7)N

DOS

IR

Vibrations