Geometry & MOs

Info

ID:	152557
PubChem CID:	56311513
Reduced:	N2O2C11H13 (2)
Stoich.:	A2B2C11D13 (2)
Weight, g/mol:	433.132382
ΔH_f, kcal/mol:	-49.7
Dipole, Da:	5.38
IP(EA), eV:	-9.22(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dichlorophenyl)-2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)N(C)C3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations