Geometry & MOs

Info

ID:	24886
PubChem CID:	614241
Reduced:	ON4H8C12 (1)
Stoich.:	AB4C8D12 (1)
Weight, g/mol:	224.069811
ΔH_f, kcal/mol:	68.41
Dipole, Da:	9.28
IP(EA), eV:	-9.29(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1H-indol-3-yl)-5-oxo-1,2-dihydropyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CN2)C3=C(C(=O)NN3)C#N

DOS

IR

Vibrations