Geometry & MOs

Info

ID:	131829
PubChem CID:	51265945
Reduced:	N3O4H13C17 (1)
Stoich.:	A3B4C13D17 (1)
Weight, g/mol:	350.104876
ΔH_f, kcal/mol:	-12.29
Dipole, Da:	7.53
IP(EA), eV:	-9.05(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,1-dioxothiolan-3-yl)-N-(6-methylpyridin-2-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2=NC3=CC=CC=C3C=C2

DOS

IR

Vibrations