Geometry & MOs

Info

ID:	150182
PubChem CID:	53789869
Reduced:	OF3H9C10 (1)
Stoich.:	AB3C9D10 (1)
Weight, g/mol:	360.084517
ΔH_f, kcal/mol:	-148.65
Dipole, Da:	2.66
IP(EA), eV:	-9.33(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(2,5-dihydroxybenzoyl)oxy-3,5-dimethoxyphenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)OC(=C(F)F)F)C

DOS

IR

Vibrations