Geometry & MOs

Info

ID:	20329
PubChem CID:	583144
Reduced:	O2C11H12 (1)
Stoich.:	A2B11C12 (1)
Weight, g/mol:	176.08373
ΔH_f, kcal/mol:	-63.12
Dipole, Da:	5.45
IP(EA), eV:	-9.68(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-phenylpent-3-enoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations