Geometry & MOs

Info

ID:	45516
PubChem CID:	10514433
Reduced:	NOC7H8 (2)
Stoich.:	ABC7D8 (2)
Weight, g/mol:	244.121178
ΔH_f, kcal/mol:	-44.89
Dipole, Da:	6.9
IP(EA), eV:	-9.16(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S)-3-ethenyl-2-oxopiperidin-3-yl]benzamide

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C(/C1=CC=C(C=C1)C)\NC)/C#N

DOS

IR

Vibrations