Geometry & MOs

Info

ID:	393621
PubChem CID:	135021295
Reduced:	NO2C8H10 (2)
Stoich.:	AB2C8D10 (2)
Weight, g/mol:	315.104148
ΔH_f, kcal/mol:	-130.57
Dipole, Da:	6.11
IP(EA), eV:	-10.64(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-[4-(cyanomethyl)-1-(4-methylphenyl)sulfonylpyrrolidin-3-ylidene]propanenitrile

Drug info:

PubChemData

Smile

CCOC(=O)C1(CCC(/C(=C\C#N)/C1)CC#N)C(=O)OCC

DOS

IR

Vibrations