Geometry & MOs

Info

ID:	196994
PubChem CID:	78906720
Reduced:	NSO3C14H19 (1)
Stoich.:	ABC3D14E19 (1)
Weight, g/mol:	181.146664
ΔH_f, kcal/mol:	-119.87
Dipole, Da:	2.63
IP(EA), eV:	-8.77(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cycloheptylbut-2-enamide

Drug info:

PubChemData

Smile

CCC1=C(SC(=C1C(=O)OCC)NC(=O)C=CC)C

DOS

IR

Vibrations