Geometry & MOs

Info

ID:	13349
PubChem CID:	226560
Reduced:	O3C13H16 (1)
Stoich.:	A3B13C16 (1)
Weight, g/mol:	220.109944
ΔH_f, kcal/mol:	-129.37
Dipole, Da:	7.2
IP(EA), eV:	-9.97(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-hydroxycyclohexyl)benzoic acid

Drug info:

PubChemData

Smile

C1CCC(C(C1)C2=CC=C(C=C2)C(=O)O)O

DOS

IR

Vibrations