Geometry & MOs

Info

ID:	73231
PubChem CID:	48417245
Reduced:	O2N6H12C15 (1)
Stoich.:	A2B6C12D15 (1)
Weight, g/mol:	230.055223
ΔH_f, kcal/mol:	31.97
Dipole, Da:	6.14
IP(EA), eV:	-9.38(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-(6-oxo-1H-pyridazine-3-carbonyl)pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)N=C(N2)CCC(=O)N3C(=C(C=N3)C#N)N

DOS

IR

Vibrations