Geometry & MOs

Info

ID:	152363
PubChem CID:	56311278
Reduced:	O4N5C22H29 (1)
Stoich.:	A4B5C22D29 (1)
Weight, g/mol:	417.161933
ΔH_f, kcal/mol:	-146.4
Dipole, Da:	5.09
IP(EA), eV:	-8.8(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chloro-4-fluorophenyl)-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)C3=C(N(C(=O)N(C3=O)C)C)N

DOS

IR

Vibrations