Geometry & MOs

Info

ID:	204818
PubChem CID:	80013095
Reduced:	FSN2C17H27 (1)
Stoich.:	ABC2D17E27 (1)
Weight, g/mol:	230.170437
ΔH_f, kcal/mol:	-37.35
Dipole, Da:	2.48
IP(EA), eV:	-8.51(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclohexylmethoxymethyl)pentane-1-thiol

Drug info:

PubChemData

Smile

CCC(CC)(CN1CCN(CC1)C2=CC=CC=C2F)CS

DOS

IR

Vibrations