Geometry & MOs

Info

ID:	293460
PubChem CID:	117390016
Reduced:	ClO3C13H15 (1)
Stoich.:	AB3C13D15 (1)
Weight, g/mol:	254.070972
ΔH_f, kcal/mol:	-129.74
Dipole, Da:	3.68
IP(EA), eV:	-9.08(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chloro-4-hydroxyphenyl)cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1O)C2(CCC2)C(=O)O)C)Cl

DOS

IR

Vibrations