Geometry & MOs

Info

ID:	58845
PubChem CID:	24714947
Reduced:	SO2N3C17H27 (1)
Stoich.:	AB2C3D17E27 (1)
Weight, g/mol:	331.189592
ΔH_f, kcal/mol:	-89.64
Dipole, Da:	4.17
IP(EA), eV:	-8.9(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-N-[2-oxo-1-piperidin-4-yl-2-(prop-2-enylamino)ethyl]benzamide

Drug info:

PubChemData

Smile

CC(C)C(C)NC(=O)C(C1CCNCC1)NC(=O)C2=CC=CS2

DOS

IR

Vibrations