Geometry & MOs

Info

ID:	215895
PubChem CID:	85085402
Reduced:	O2C11H22 (1)
Stoich.:	A2B11C22 (1)
Weight, g/mol:	186.107836
ΔH_f, kcal/mol:	-138.09
Dipole, Da:	1.8
IP(EA), eV:	-10.41(1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-prop-1-enyloxocane-2-thiol

Drug info:

PubChemData

Smile

CCOC(=O)C(C)C(C)C(C)(C)C

DOS

IR

Vibrations