Geometry & MOs

Info

ID:	372168
PubChem CID:	131294073
Reduced:	ON4H8C10 (1)
Stoich.:	AB4C8D10 (1)
Weight, g/mol:	200.069811
ΔH_f, kcal/mol:	72.67
Dipole, Da:	7.33
IP(EA), eV:	-9.54(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-1-(pyridin-2-ylmethyl)pyrazole-3-carbonitrile

Drug info:

PubChemData

Smile

CN1C(=C(C(=N1)C#N)O)C2=CN=CC=C2

DOS

IR

Vibrations