Geometry & MOs

Info

ID:	365253
PubChem CID:	127317598
Reduced:	O3N4C22H28 (1)
Stoich.:	A3B4C22D28 (1)
Weight, g/mol:	329.210327
ΔH_f, kcal/mol:	-105.57
Dipole, Da:	4.04
IP(EA), eV:	-8.58(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]-3,4-dimethylbenzamide

Drug info:

PubChemData

Smile

CC12CCC(=O)N1C3=CC=CC=C3C(=O)N2CC(=O)N4CCN(CC4)C5CCC5

DOS

IR

Vibrations