Geometry & MOs

Info

ID:	121741
PubChem CID:	50779731
Reduced:	O3N4C20H30 (1)
Stoich.:	A3B4C20D30 (1)
Weight, g/mol:	331.225977
ΔH_f, kcal/mol:	-132.06
Dipole, Da:	6.11
IP(EA), eV:	-9.07(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-4-methyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide

Drug info:

PubChemData

Smile

CC(C)CN(CCC(=O)N1CCNCC1)C(=O)C2=CC=C(C=C2)NC(=O)C

DOS

IR

Vibrations