Geometry & MOs

Info

ID:	340391
PubChem CID:	127262402
Reduced:	OC11H22 (1)
Stoich.:	AB11C22 (1)
Weight, g/mol:	276.136159
ΔH_f, kcal/mol:	-92.71
Dipole, Da:	2.07
IP(EA), eV:	-10.16(2.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-acetyl-3-[1-(hydroxymethyl)cyclohexyl]benzoic acid

Drug info:

PubChemData

Smile

CC[C@H]1CCCC([C@@H]1CO)(C)C

DOS

IR

Vibrations