Geometry & MOs

Info

ID:	67864
PubChem CID:	46507322
Reduced:	SO2N3C22H23 (1)
Stoich.:	AB2C3D22E23 (1)
Weight, g/mol:	404.184841
ΔH_f, kcal/mol:	-15.19
Dipole, Da:	5.28
IP(EA), eV:	-8.94(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-acetylphenyl)-2-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)acetamide

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)NC(=O)CSC2=NC=NC(=C2)OC3=CC(=CC(=C3)C)C

DOS

IR

Vibrations