Geometry & MOs

Info

ID:	36964
PubChem CID:	8015444
Reduced:	FOCl2N3C19H21 (1)
Stoich.:	ABC2D3E19F21 (1)
Weight, g/mol:	373.155705
ΔH_f, kcal/mol:	-39.92
Dipole, Da:	4.22
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.758398
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(5-chloro-2-methoxyphenyl)-2-(4-phenylpiperazin-1-yl)propanamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=C(C=CC(=C1)Cl)Cl)[NH+]2CCN(CC2)C3=CC=C(C=C3)F

DOS

IR

Vibrations