Geometry & MOs

Info

ID:	1616
PubChem CID:	4775
Reduced:	OC5H6 (2)
Stoich.:	AB5C6 (2)
Weight, g/mol:	164.08373
ΔH_f, kcal/mol:	-77.81
Dipole, Da:	4.4
IP(EA), eV:	-9.56(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-phenylbutanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCCC(=O)O

DOS

IR

Vibrations