Geometry & MOs

Info

ID:	298551
PubChem CID:	117651048
Reduced:	NO2C16H27 (1)
Stoich.:	AB2C16D27 (1)
Weight, g/mol:	264.935963
ΔH_f, kcal/mol:	-94.39
Dipole, Da:	2.03
IP(EA), eV:	-11.03(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

azanium;2-(1,3-dithiol-2-ylidene)-1,3-dithiole-4-carboxylate

Drug info:

PubChemData

Smile

CCCCCCCC(CCCC)OC(=O)C(=C)C#N

DOS

IR

Vibrations