Geometry & MOs

Info

ID:	230197
PubChem CID:	87570403
Reduced:	IO2C11H13 (1)
Stoich.:	AB2C11D13 (1)
Weight, g/mol:	303.99603
ΔH_f, kcal/mol:	-56.54
Dipole, Da:	0.85
IP(EA), eV:	-9.79(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-methyl-4-phenylbut-2-enoic acid;hydroiodide

Drug info:

PubChemData

Smile

CC(=C)C(=O)OCC1=CC=CC=C1.I

DOS

IR

Vibrations