Geometry & MOs

Info

ID:	366558
PubChem CID:	127320074
Reduced:	N3O3C12H17 (1)
Stoich.:	A3B3C12D17 (1)
Weight, g/mol:	372.252526
ΔH_f, kcal/mol:	-78.34
Dipole, Da:	4.78
IP(EA), eV:	-9.7(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-ethylpiperazin-1-yl)-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide

Drug info:

PubChemData

Smile

CC1=CC(=NO1)CC(=O)NC2CCCCNC2=O

DOS

IR

Vibrations