Geometry & MOs

Info

ID:	6796
PubChem CID:	70032
Reduced:	O3C12H14 (1)
Stoich.:	A3B12C14 (1)
Weight, g/mol:	206.094294
ΔH_f, kcal/mol:	-124.44
Dipole, Da:	9.04
IP(EA), eV:	-10.09(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-methylphenyl)-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)CCCC(=O)O

DOS

IR

Vibrations