Geometry & MOs

Info

ID:	139592
PubChem CID:	52566934
Reduced:	ClNF3O3H15C17 (1)
Stoich.:	ABC3D3E15F17 (1)
Weight, g/mol:	466.22162
ΔH_f, kcal/mol:	-245.67
Dipole, Da:	2.06
IP(EA), eV:	-8.76(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methoxyphenyl)-[4-[2-(4-methylpiperidin-1-yl)-5-nitrobenzoyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)NC(=O)CC(F)(F)F

DOS

IR

Vibrations