Geometry & MOs

Info

ID:	36968
PubChem CID:	8015481
Reduced:	FOCl2N3C19H21 (1)
Stoich.:	ABC2D3E19F21 (1)
Weight, g/mol:	395.096746
ΔH_f, kcal/mol:	-42.86
Dipole, Da:	3.69
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.757546
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-(2,5-dichlorophenyl)-2-[4-(4-fluorophenyl)piperazin-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