Geometry & MOs

Info

ID:	138270
PubChem CID:	52336797
Reduced:	OCl3N4C15H16 (1)
Stoich.:	AB3C4D15E16 (1)
Weight, g/mol:	372.031144
ΔH_f, kcal/mol:	50.71
Dipole, Da:	34.38
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.962399
Charge, e:	0

Chem-info

IUPAC name:

4,5-dichloro-2-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]pyridazin-3-one

Drug info:

PubChemData

Smile

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)N3C(=O)C(=C(C=N3)Cl)Cl)Cl

DOS

IR

Vibrations