Geometry & MOs

Info

ID:	148711
PubChem CID:	53788380
Reduced:	ClO2F3C16H22 (1)
Stoich.:	AB2C3D16E22 (1)
Weight, g/mol:	262.084124
ΔH_f, kcal/mol:	-260.68
Dipole, Da:	1.86
IP(EA), eV:	-8.75(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-acetyloxy-3-prop-2-enoxyphenyl)prop-2-enoic acid

Drug info:

PubChemData

Smile

CCC(C(C(F)(F)F)Cl)OCCCCCOC1=CC=CC=C1

DOS

IR

Vibrations