Geometry & MOs

Info

ID:	73277
PubChem CID:	48417347
Reduced:	FON2H4C6 (2)
Stoich.:	ABC2D4E6 (2)
Weight, g/mol:	214.060309
ΔH_f, kcal/mol:	-79.32
Dipole, Da:	5.5
IP(EA), eV:	-9.48(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-(pyrazine-2-carbonyl)pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)OC(F)F)C(=O)N2C(=C(C=N2)C#N)N

DOS

IR

Vibrations