Geometry & MOs

Info

ID:	495
PubChem CID:	2867
Reduced:	BrO2N3H14C20 (1)
Stoich.:	AB2C3D14E20 (1)
Weight, g/mol:	407.02694
ΔH_f, kcal/mol:	27.27
Dipole, Da:	5.66
IP(EA), eV:	-8.23(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(6-bromo-1H-indol-3-yl)ethenyl]-2-(1H-indol-3-yl)-2-oxoacetamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CN2)C(=O)C(=O)NC=CC3=CNC4=C3C=CC(=C4)Br

DOS

IR

Vibrations