Geometry & MOs

Info

ID:	183690
PubChem CID:	77058611
Reduced:	NO2C7H8 (2)
Stoich.:	AB2C7D8 (2)
Weight, g/mol:	279.085521
ΔH_f, kcal/mol:	-144.78
Dipole, Da:	4.73
IP(EA), eV:	-8.96(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5-methyl-6-methylidene-3-oxopyridazine-4-carbonyl)amino]oxolane-3-carboxylic acid

Drug info:

PubChemData

Smile

C1COCC1(C(=O)O)NC(=O)C2CC3=CC=CC=C3N2

DOS

IR

Vibrations