Geometry & MOs

Info

ID:	199067
PubChem CID:	79193778
Reduced:	NOC5H5 (2)
Stoich.:	ABC5D5 (2)
Weight, g/mol:	193.121512
ΔH_f, kcal/mol:	-18.46
Dipole, Da:	5.23
IP(EA), eV:	-10.01(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyano-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

COCC1=CC=CC=C1C(=O)NC#N

DOS

IR

Vibrations