Geometry & MOs

Info

ID:	153052
PubChem CID:	56312176
Reduced:	BrN4O4C21H23 (1)
Stoich.:	AB4C4D21E23 (1)
Weight, g/mol:	403.146283
ΔH_f, kcal/mol:	-54.17
Dipole, Da:	6.02
IP(EA), eV:	-9.3(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-fluorophenyl)-2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Br

DOS

IR

Vibrations