Geometry & MOs

Info

ID:	294049
PubChem CID:	117425370
Reduced:	ClO3C14H17 (1)
Stoich.:	AB3C14D17 (1)
Weight, g/mol:	268.086622
ΔH_f, kcal/mol:	-154.32
Dipole, Da:	5.89
IP(EA), eV:	-9.24(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chloro-3-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)propanoic acid

Drug info:

PubChemData

Smile

CC1=C2CCCCC2=C(C(=C1C(C)C(=O)O)O)Cl

DOS

IR

Vibrations