Geometry & MOs

Info

ID:	56304
PubChem CID:	17425038
Reduced:	FN2O4C18H19 (1)
Stoich.:	AB2C4D18E19 (1)
Weight, g/mol:	488.099366
ΔH_f, kcal/mol:	-148.38
Dipole, Da:	2.1
IP(EA), eV:	-8.81(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-chlorophenyl)-N-[2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-2-oxoethyl]-N-methylacetamide

Drug info:

PubChemData

Smile

CN(CC1=CC(=C(C=C1)OC)F)C(=O)NCC2=CC3=C(C=C2)OCO3

DOS

IR

Vibrations