Geometry & MOs

Info

ID:	156021
PubChem CID:	56368806
Reduced:	Cl2O3N5C19H25 (1)
Stoich.:	A2B3C5D19E25 (1)
Weight, g/mol:	409.236542
ΔH_f, kcal/mol:	-90.79
Dipole, Da:	3.95
IP(EA), eV:	-9.37(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4-methoxyphenyl)propyl]-4-[2-(4-methylphenyl)acetyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CCN(CC(=O)NC1=C(C=CC=C1Cl)Cl)C(=O)NCCCC2=NC(=NO2)C(C)C

DOS

IR

Vibrations