Geometry & MOs

Info

ID:	373558
PubChem CID:	131317113
Reduced:	ON3H5C8 (1)
Stoich.:	AB3C5D8 (1)
Weight, g/mol:	159.043262
ΔH_f, kcal/mol:	49.14
Dipole, Da:	6.29
IP(EA), eV:	-9.1(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-oxo-1H-pyrrolo[1,2-b]pyridazine-6-carbonitrile

Drug info:

PubChemData

Smile

C1=CN2C=NC(=C2C(=C1)O)C#N

DOS

IR

Vibrations