Geometry & MOs

Info

ID:	186273
PubChem CID:	77413404
Reduced:	NaOCl2N2H8C11 (1)
Stoich.:	ABC2D2E8F11 (1)
Weight, g/mol:	254.001368
ΔH_f, kcal/mol:	-42.61
Dipole, Da:	7.31
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.790444
Charge, e:	0

Chem-info

IUPAC name:

3-(3,5-dichloro-4-methylphenyl)-3H-pyridazin-6-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1Cl)C2C=CC(=O)N=N2)Cl.[Na]

DOS

IR

Vibrations