Geometry & MOs

Info

ID:	264289
PubChem CID:	103450815
Reduced:	SO2C13H18 (1)
Stoich.:	AB2C13D18 (1)
Weight, g/mol:	170.13068
ΔH_f, kcal/mol:	-86.67
Dipole, Da:	2.47
IP(EA), eV:	-9.21(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-hydroxy-4-methylcyclohexyl)propan-1-one

Drug info:

PubChemData

Smile

CC1CCC(CC1)(C(=O)C2=C(SC=C2)C)O

DOS

IR

Vibrations