Geometry & MOs

Info

ID:	272263
PubChem CID:	103737184
Reduced:	ClSO3N4H11C12 (1)
Stoich.:	ABC3D4E11F12 (1)
Weight, g/mol:	223.132077
ΔH_f, kcal/mol:	8.1
Dipole, Da:	3.62
IP(EA), eV:	-9.6(-2.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-ethylcyclopropyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CN=C(S1)C(C)NC(=O)C2=CC(=NC=C2[N+](=O)[O-])Cl

DOS

IR

Vibrations