Geometry & MOs

Info

ID:	372186
PubChem CID:	131294211
Reduced:	ON2C11H12 (1)
Stoich.:	AB2C11D12 (1)
Weight, g/mol:	218.079908
ΔH_f, kcal/mol:	36.54
Dipole, Da:	3.87
IP(EA), eV:	-9.73(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(thian-4-yl)thian-3-ol

Drug info:

PubChemData

Smile

C1C(CN1)(C#N)OCC2=CC=CC=C2

DOS

IR

Vibrations