Geometry & MOs

Info

ID:	395186
PubChem CID:	135024866
Reduced:	F3O4C19H23 (1)
Stoich.:	A3B4C19D23 (1)
Weight, g/mol:	376.113373
ΔH_f, kcal/mol:	-316.21
Dipole, Da:	1.47
IP(EA), eV:	-8.95(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-[(E)-3-(2,6-dimethoxyphenyl)prop-2-enyl]-2-(trifluoromethyl)propanedioate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations