Geometry & MOs

Info

ID:	1193
PubChem CID:	3965
Reduced:	OC5H6 (3)
Stoich.:	AB5C6 (3)
Weight, g/mol:	246.125594
ΔH_f, kcal/mol:	-128.03
Dipole, Da:	5.0
IP(EA), eV:	-9.76(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(2-oxocyclopentyl)methyl]phenyl]propanoic acid

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)CC2CCCC2=O)C(=O)O

DOS

IR

Vibrations