Geometry & MOs

Info

ID:	177435
PubChem CID:	76185286
Reduced:	N4O5H18C20 (1)
Stoich.:	A4B5C18D20 (1)
Weight, g/mol:	252.010183
ΔH_f, kcal/mol:	-63.65
Dipole, Da:	3.99
IP(EA), eV:	-8.26(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-chloro-6-fluorophenyl)-5-hydroxy-6-methylidenepyridazin-3-one

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)C=NNC(=O)C2=NN(C(=O)C=C2O)C3=CC=CC=C3

DOS

IR

Vibrations