Geometry & MOs

Info

ID:	73042
PubChem CID:	48416870
Reduced:	OS2H6N6C12 (1)
Stoich.:	AB2C6D6E12 (1)
Weight, g/mol:	229.059974
ΔH_f, kcal/mol:	131.35
Dipole, Da:	5.37
IP(EA), eV:	-9.02(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-(2-oxo-1H-pyridine-3-carbonyl)pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1=CSC2=NC3=C(N21)C=C(S3)C(=O)N4C(=C(C=N4)C#N)N

DOS

IR

Vibrations