Geometry & MOs

Info

ID:	294357
PubChem CID:	117454338
Reduced:	ClN2O3C13H15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	282.102272
ΔH_f, kcal/mol:	-68.2
Dipole, Da:	4.8
IP(EA), eV:	-8.89(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-chloro-3-hydroxy-2,4-dimethylphenyl)cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

C1CN(CCN1)CC2=C(C=C(C3=C2OCO3)C=O)Cl

DOS

IR

Vibrations