Geometry & MOs

Info

ID:	174987
PubChem CID:	75842193
Reduced:	N2O5C20H22 (1)
Stoich.:	A2B5C20D22 (1)
Weight, g/mol:	394.094705
ΔH_f, kcal/mol:	-75.89
Dipole, Da:	7.81
IP(EA), eV:	-8.48(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,1-dioxothiolan-3-yl)-N-[(4-nitrophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C=CC(=O)NCC2=CC=C(C=C2)[N+](=O)[O-])OCC

DOS

IR

Vibrations