Geometry & MOs

Info

ID:	153132
PubChem CID:	56312274
Reduced:	ClO2N3C24H30 (1)
Stoich.:	AB2C3D24E30 (1)
Weight, g/mol:	419.257277
ΔH_f, kcal/mol:	-77.35
Dipole, Da:	4.0
IP(EA), eV:	-8.98(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[cyclopropyl-(4-methylphenyl)methyl]-2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)C(C)C(=O)NC3=C(C=C(C=C3Cl)C)C

DOS

IR

Vibrations