Geometry & MOs

Info

ID:	207908
PubChem CID:	80468021
Reduced:	NSO2C13H17 (1)
Stoich.:	ABC2D13E17 (1)
Weight, g/mol:	218.141913
ΔH_f, kcal/mol:	-54.74
Dipole, Da:	4.72
IP(EA), eV:	-9.35(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-cyanoethyl)-N-cyclopropylbicyclo[3.1.0]hexane-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC=N1)CCC2(CC3CC3C2)C(=O)O

DOS

IR

Vibrations