Geometry & MOs

Info

ID:	264549
PubChem CID:	103469392
Reduced:	IN5H6C9 (1)
Stoich.:	AB5C6D9 (1)
Weight, g/mol:	228.075959
ΔH_f, kcal/mol:	135.61
Dipole, Da:	5.38
IP(EA), eV:	-9.01(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-amino-6-cyanopyridin-2-yl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=NC(=C1N)C#N)N2C=C(C=N2)I

DOS

IR

Vibrations