Geometry & MOs

Info

ID:	294362
PubChem CID:	117454455
Reduced:	ClO3C15H19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	282.102272
ΔH_f, kcal/mol:	-120.6
Dipole, Da:	6.7
IP(EA), eV:	-9.27(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1C)C(CC(=O)O)C2CC2)OC)Cl

DOS

IR

Vibrations