Geometry & MOs

Info

ID:	153253
PubChem CID:	56312421
Reduced:	FO2N3C24H30 (1)
Stoich.:	AB2C3D24E30 (1)
Weight, g/mol:	444.156433
ΔH_f, kcal/mol:	-94.95
Dipole, Da:	2.41
IP(EA), eV:	-8.9(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chloro-4-nitrophenyl)-2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)C(C)C(=O)N(C)CC3=CC(=CC=C3)F

DOS

IR

Vibrations