Geometry & MOs

Info

ID:	63467
PubChem CID:	26758412
Reduced:	ClNF3O3H11C16 (1)
Stoich.:	ABC3D3E11F16 (1)
Weight, g/mol:	391.145596
ΔH_f, kcal/mol:	-231.22
Dipole, Da:	4.28
IP(EA), eV:	-9.06(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(difluoromethoxy)-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=C(C=C(C=C1)Cl)F)OC(=O)C2=C(C=C(C=C2)F)F

DOS

IR

Vibrations