Geometry & MOs

Info

ID:	242565
PubChem CID:	97857386
Reduced:	FON3C18H20 (1)
Stoich.:	ABC3D18E20 (1)
Weight, g/mol:	307.169605
ΔH_f, kcal/mol:	-28.03
Dipole, Da:	4.62
IP(EA), eV:	-8.52(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[4-[3-(4-fluorophenyl)-3-oxopropyl]piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CC2)N[C@@H](C)C3=NC=C(C=C3)F

DOS

IR

Vibrations