Geometry & MOs

Info

ID:	338652
PubChem CID:	127259663
Reduced:	OSN3H15C17 (1)
Stoich.:	ABC3D15E17 (1)
Weight, g/mol:	300.147393
ΔH_f, kcal/mol:	55.36
Dipole, Da:	4.9
IP(EA), eV:	-8.26(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(Z)-5-oxo-3-pyrrolidin-1-ylhex-2-enoyl]benzamide

Drug info:

PubChemData

Smile

CN(C1=CC=CC=C1CC#N)C(=S)NC(=O)C2=CC=CC=C2

DOS

IR

Vibrations