Geometry & MOs

Info

ID:	132766
PubChem CID:	51416558
Reduced:	O2N4C12H13 (1)
Stoich.:	A2B4C12D13 (1)
Weight, g/mol:	249.04308
ΔH_f, kcal/mol:	23.95
Dipole, Da:	3.93
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.903056
Charge, e:	-1

Chem-info

IUPAC name:

4-chloro-2-[(3-methylphenyl)methyl]-5-oxopyridazin-3-olate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)OCC(=NC2=NC=NN2)[O-])C

DOS

IR

Vibrations