Geometry & MOs

Info

ID:	222205
PubChem CID:	85295201
Reduced:	PO4C9H17 (1)
Stoich.:	AB4C9D17 (1)
Weight, g/mol:	220.073559
ΔH_f, kcal/mol:	-229.28
Dipole, Da:	3.55
IP(EA), eV:	-9.81(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-acetyloxyphenyl)but-2-enoic acid

Drug info:

PubChemData

Smile

CCOP(=O)(CC=C(C)C=O)OCC

DOS

IR

Vibrations