Geometry & MOs

Info

ID:	39681
PubChem CID:	8141866
Reduced:	ClF2O2N3H18C19 (1)
Stoich.:	AB2C2D3E18F19 (1)
Weight, g/mol:	402.138458
ΔH_f, kcal/mol:	-135.2
Dipole, Da:	3.99
IP(EA), eV:	-9.04(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-(2-chlorophenyl)-2-[4-[(E)-3-(3-fluorophenyl)prop-2-enoyl]piperazin-1-ium-1-yl]acetamide

Drug info:

PubChemData

Smile

C1CN(CCN1CC(=O)NC2=CC=CC=C2Cl)C(=O)C3=C(C=C(C=C3)F)F

DOS

IR

Vibrations