Geometry & MOs

Info

ID:	431269
PubChem CID:	135171340
Reduced:	N2C9H12 (1)
Stoich.:	A2B9C12 (1)
Weight, g/mol:	310.179361
ΔH_f, kcal/mol:	72.68
Dipole, Da:	2.85
IP(EA), eV:	-9.14(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-aminocyclohexyl)-5-cyano-N-ethyl-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=C(NC1C#N)C=C

DOS

IR

Vibrations