Geometry & MOs

Info

ID:	20214
PubChem CID:	582713
Reduced:	ON3H15C18 (1)
Stoich.:	AB3C15D18 (1)
Weight, g/mol:	289.121512
ΔH_f, kcal/mol:	49.72
Dipole, Da:	5.27
IP(EA), eV:	-8.8(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-cyano-2-(1H-indol-3-yl)ethyl]benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)NC(CC2=CNC3=CC=CC=C32)C#N

DOS

IR

Vibrations