Geometry & MOs

Info

ID:	152716
PubChem CID:	56311772
Reduced:	ClFO2N3C22H25 (1)
Stoich.:	ABC2D3E22F25 (1)
Weight, g/mol:	417.161933
ΔH_f, kcal/mol:	-102.55
Dipole, Da:	4.09
IP(EA), eV:	-9.1(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chloro-2-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)NC3=CC(=C(C=C3)F)Cl

DOS

IR

Vibrations