Geometry & MOs

Info

ID:	314267
PubChem CID:	126621090
Reduced:	OC8H13 (4)
Stoich.:	AB8C13 (4)
Weight, g/mol:	172.128572
ΔH_f, kcal/mol:	-248.05
Dipole, Da:	3.15
IP(EA), eV:	-8.67(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-ethylcyclohexyl)ethanethiol

Drug info:

PubChemData

Smile

CCCCC[C@@H](CC[C@H]1CC[C@H]2[C@@H]1CC3=C(C2)C(=CC=C3)OCC(=O)OC(CCCC)CCCC)O

DOS

IR

Vibrations