Geometry & MOs

Info

ID:	73333
PubChem CID:	48417449
Reduced:	O2F3N4H9C16 (1)
Stoich.:	A2B3C4D9E16 (1)
Weight, g/mol:	272.102174
ΔH_f, kcal/mol:	-100.35
Dipole, Da:	3.85
IP(EA), eV:	-9.46(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C(F)(F)F)C2=CC=C(O2)C(=O)N3C(=C(C=N3)C#N)N

DOS

IR

Vibrations