Geometry & MOs

Info

ID:	294048
PubChem CID:	117425329
Reduced:	ClO3C14H17 (1)
Stoich.:	AB3C14D17 (1)
Weight, g/mol:	268.086622
ΔH_f, kcal/mol:	-118.74
Dipole, Da:	3.37
IP(EA), eV:	-9.55(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chloro-3-hydroxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1C2(CC2)CC(=O)O)OC)C)Cl

DOS

IR

Vibrations