Geometry & MOs

Info

ID:	7014
PubChem CID:	70980
Reduced:	OC5H5 (2)
Stoich.:	AB5C5 (2)
Weight, g/mol:	162.06808
ΔH_f, kcal/mol:	-57.04
Dipole, Da:	5.95
IP(EA), eV:	-10.05(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-phenylbut-2-enoic acid

Drug info:

PubChemData

Smile

CC(=CC(=O)O)C1=CC=CC=C1

DOS

IR

Vibrations