Geometry & MOs

Info

ID:	372167
PubChem CID:	131294072
Reduced:	ON4H8C10 (1)
Stoich.:	AB4C8D10 (1)
Weight, g/mol:	200.069811
ΔH_f, kcal/mol:	62.37
Dipole, Da:	9.46
IP(EA), eV:	-9.08(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-1-methyl-5-pyridin-3-ylpyrazole-3-carbonitrile

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)N=NC(=C2N)C#N

DOS

IR

Vibrations