Geometry & MOs

Info

ID:	138269
PubChem CID:	52336780
Reduced:	NOF2C17H17 (1)
Stoich.:	ABC2D17E17 (1)
Weight, g/mol:	373.038969
ΔH_f, kcal/mol:	-94.13
Dipole, Da:	2.9
IP(EA), eV:	-9.04(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CC2=CC=CC=C21)C[C@@H](C3=C(C=CC=C3F)F)O

DOS

IR

Vibrations