Geometry & MOs

Info

ID:	395187
PubChem CID:	135024867
Reduced:	F3O6C17H19 (1)
Stoich.:	A3B6C17D19 (1)
Weight, g/mol:	384.079628
ΔH_f, kcal/mol:	-371.33
Dipole, Da:	1.09
IP(EA), eV:	-8.85(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-(trifluoromethyl)-2-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl]propanedioate

Drug info:

PubChemData

Smile

COC1=C(C(=CC=C1)OC)/C=C/CC(C(=O)OC)(C(=O)OC)C(F)(F)F

DOS

IR

Vibrations