Geometry & MOs

Info

ID:	178424
PubChem CID:	76327225
Reduced:	ClN4O5H19C30 (1)
Stoich.:	AB4C5D19E30 (1)
Weight, g/mol:	389.91902
ΔH_f, kcal/mol:	6.58
Dipole, Da:	7.83
IP(EA), eV:	-9.22(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-(5-bromo-1H-indol-2-yl)-1H-indole

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)N=C2C3=C(C=CC(=C3)[N+](=O)[O-])N(C2=O)CC4=CC=CC=C4)N5C(=O)C6=C(C5=O)C=C(C=C6)Cl

DOS

IR

Vibrations