Geometry & MOs

Info

ID:	338646
PubChem CID:	127259657
Reduced:	N3O3C13H15 (1)
Stoich.:	A3B3C13D15 (1)
Weight, g/mol:	280.121178
ΔH_f, kcal/mol:	-30.58
Dipole, Da:	6.87
IP(EA), eV:	-9.56(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(Z)-3-(benzylamino)-3-oxoprop-1-enyl]benzamide

Drug info:

PubChemData

Smile

CO/N=C/C1=CC=C(C=C1)C(=O)NCOCCC#N

DOS

IR

Vibrations