Geometry & MOs

Info

ID:	228883
PubChem CID:	87566080
Reduced:	ClFNO3C12H17 (1)
Stoich.:	ABCD3E12F17 (1)
Weight, g/mol:	411.07054
ΔH_f, kcal/mol:	-188.82
Dipole, Da:	6.58
IP(EA), eV:	-8.99(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3,4-bis(difluoromethoxy)phenyl]-3-[6-(trifluoromethyl)pyridin-3-yl]propan-1-one

Drug info:

PubChemData

Smile

CNC(CC1=CC=C(C=C1)OCCF)C(=O)O.Cl

DOS

IR

Vibrations