Geometry & MOs

Info

ID:	39691
PubChem CID:	8141925
Reduced:	NF2O3H21C23 (1)
Stoich.:	AB2C3D21E23 (1)
Weight, g/mol:	368.125133
ΔH_f, kcal/mol:	-134.73
Dipole, Da:	4.09
IP(EA), eV:	-8.48(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(4-chloro-3-nitrobenzoyl)piperazin-1-yl]-N-propan-2-ylacetamide

Drug info:

PubChemData

Smile

CN(CC1=CC(=C(C=C1)OCC2=CC=CC=C2)OC)C(=O)C3=CC(=CC(=C3)F)F

DOS

IR

Vibrations