Geometry & MOs

Info

ID:	399757
PubChem CID:	135042313
Reduced:	O3C13H20 (1)
Stoich.:	A3B13C20 (1)
Weight, g/mol:	156.11503
ΔH_f, kcal/mol:	-122.19
Dipole, Da:	3.71
IP(EA), eV:	-10.08(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1S,2S,4R)-4-hydroxy-2-methylcyclohexyl]ethanone

Drug info:

PubChemData

Smile

CCCCCCC[C@@H](C1=CC(=C)OC1=O)O

DOS

IR

Vibrations