Geometry & MOs

Info

ID:	337301
PubChem CID:	127256983
Reduced:	ON4H6C10 (1)
Stoich.:	AB4C6D10 (1)
Weight, g/mol:	214.004828
ΔH_f, kcal/mol:	62.6
Dipole, Da:	7.68
IP(EA), eV:	-9.84(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-cyanopyridin-4-yl) methyl sulfate

Drug info:

PubChemData

Smile

C1=CNC(=O)C(=C1C2=NC=CN=C2)C#N

DOS

IR

Vibrations