Geometry & MOs

Info

ID:	153157
PubChem CID:	56312304
Reduced:	ClO2N3C22H26 (1)
Stoich.:	AB2C3D22E26 (1)
Weight, g/mol:	440.20597
ΔH_f, kcal/mol:	-66.02
Dipole, Da:	1.06
IP(EA), eV:	-9.02(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methoxy-5-nitrophenyl)-3-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)NC3=C(C(=CC=C3)Cl)C

DOS

IR

Vibrations