Geometry & MOs

Info

ID:	228656
PubChem CID:	87565492
Reduced:	O5C7H7 (2)
Stoich.:	A5B7C7 (2)
Weight, g/mol:	343.063169
ΔH_f, kcal/mol:	-85.06
Dipole, Da:	5.03
IP(EA), eV:	-10.83(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-[3-(difluoromethoxy)phenyl]-3-[6-(trifluoromethyl)pyridin-3-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

CC1CC2=C1C(=O)OC2(OO)OOC3(C4=C(C(C4)C)C(=O)O3)OO

DOS

IR

Vibrations