Geometry & MOs

Info

ID:	426909
PubChem CID:	135154491
Reduced:	SP2C4O8H16 (1)
Stoich.:	AB2C4D8E16 (1)
Weight, g/mol:	361.153875
ΔH_f, kcal/mol:	-382.93
Dipole, Da:	8.57
IP(EA), eV:	-9.67(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(3-methyl-5-oxo-6H-pyrido[2,3-d]pyridazin-2-yl)piperidin-4-yl]oxybenzonitrile

Drug info:

PubChemData

Smile

C(O)[PH2+]CO.C(O)[PH2+]CO.[O-]S(=O)(=O)[O-]

DOS

IR

Vibrations