Geometry & MOs

Info

ID:	229427
PubChem CID:	87567626
Reduced:	O5C10H22 (1)
Stoich.:	A5B10C22 (1)
Weight, g/mol:	249.093583
ΔH_f, kcal/mol:	-263.95
Dipole, Da:	3.2
IP(EA), eV:	-10.56(0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-[(3E)-3-(pyrazin-2-ylmethylidene)piperidin-4-yl] ethanethioate

Drug info:

PubChemData

Smile

CCOC(=O)CCCO.C(CCO)CO

DOS

IR

Vibrations