Geometry & MOs

Info

ID:	195491
PubChem CID:	78694316
Reduced:	FN2O3H19C21 (1)
Stoich.:	AB2C3D19E21 (1)
Weight, g/mol:	389.167018
ΔH_f, kcal/mol:	-83.59
Dipole, Da:	5.05
IP(EA), eV:	-9.83(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-2-(1-phenylethylamino)ethanone

Drug info:

PubChemData

Smile

CCN(CC1=CC(=CC=C1)F)C(=O)COC(=O)C=CC2=CC=C(C=C2)C#N

DOS

IR

Vibrations