Geometry & MOs

Info

ID:	204894
PubChem CID:	80027335
Reduced:	OSC11H22 (1)
Stoich.:	ABC11D22 (1)
Weight, g/mol:	272.217387
ΔH_f, kcal/mol:	-75.29
Dipole, Da:	3.0
IP(EA), eV:	-8.62(0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(octoxymethyl)cyclohexyl]methanethiol

Drug info:

PubChemData

Smile

CCC(C)(C)OCC1(CCC1)CS

DOS

IR

Vibrations