Geometry & MOs

Info

ID:	347983
PubChem CID:	127273045
Reduced:	ON2C10H15 (2)
Stoich.:	AB2C10D15 (2)
Weight, g/mol:	386.268176
ΔH_f, kcal/mol:	-69.0
Dipole, Da:	1.82
IP(EA), eV:	-8.46(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylbenzoyl)-N-[2-(4-methylpiperazin-1-yl)propyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(CNC(=O)C1CCCN1C(=O)C2=CC=CC=C2)N3CCN(CC3)C

DOS

IR

Vibrations