Geometry & MOs

Info

ID:	338551
PubChem CID:	127259562
Reduced:	NSO2C8H9 (1)
Stoich.:	ABC2D8E9 (1)
Weight, g/mol:	219.125929
ΔH_f, kcal/mol:	-53.57
Dipole, Da:	1.25
IP(EA), eV:	-9.97(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-(7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-ylidene)acetonitrile

Drug info:

PubChemData

Smile

CCC1(/C(=C\C#N)/SC(=O)O1)C

DOS

IR

Vibrations