Geometry & MOs

Info

ID:	205435
PubChem CID:	80100593
Reduced:	Cl2O3H14C15 (1)
Stoich.:	A2B3C14D15 (1)
Weight, g/mol:	248.079707
ΔH_f, kcal/mol:	-94.13
Dipole, Da:	1.12
IP(EA), eV:	-9.09(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3-hydroxyphenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxylic acid

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)CCl)Cl)OCC2=CC(=CC=C2)O

DOS

IR

Vibrations