Geometry & MOs

Info

ID:	376443
PubChem CID:	134222456
Reduced:	ON4C22H22 (1)
Stoich.:	AB4C22D22 (1)
Weight, g/mol:	372.158626
ΔH_f, kcal/mol:	68.45
Dipole, Da:	3.78
IP(EA), eV:	-8.67(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-oxopentyl)-6-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3-one

Drug info:

PubChemData

Smile

CC(C)(C)CN1C(=O)C=CC(=N1)C2=C3C=CC=CN3N=C2C4=CC=CC=C4

DOS

IR

Vibrations