Geometry & MOs

Info

ID:

39675

PubChem CID:

8141841

Reduced:

ClFO2N3C19H20 (1)

Stoich.:

ABC2D3E19F20 (1)

Weight, g/mol:

375.114983

ΔHf, kcal/mol:

-68.86

Dipole, Da:

0.97

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.754661

Charge, e:

 0

Chem-info

IUPAC name:

N-(2-chlorophenyl)-2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2Cl)C(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations