Geometry & MOs

Info

ID:	224841
PubChem CID:	85451356
Reduced:	ClON2C15H15 (1)
Stoich.:	ABC2D15E15 (1)
Weight, g/mol:	364.130218
ΔH_f, kcal/mol:	-0.95
Dipole, Da:	3.98
IP(EA), eV:	-9.43(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-5-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-4H-pyridazin-3-one

Drug info:

PubChemData

Smile

C1CCC2=NC(=NC(=O)C2C1)CC3=CC=CC=C3Cl

DOS

IR

Vibrations