Geometry & MOs

Info

ID:	152364
PubChem CID:	56311279
Reduced:	ClFO2N3C22H25 (1)
Stoich.:	ABC2D3E22F25 (1)
Weight, g/mol:	429.181919
ΔH_f, kcal/mol:	-106.71
Dipole, Da:	2.74
IP(EA), eV:	-9.1(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-chloro-2-methoxyphenyl)-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=C(C=C(C=C3)F)Cl

DOS

IR

Vibrations