Geometry & MOs

Info

ID:	62970
PubChem CID:	26737850
Reduced:	N3O3C24H29 (1)
Stoich.:	A3B3C24D29 (1)
Weight, g/mol:	432.216141
ΔH_f, kcal/mol:	-83.21
Dipole, Da:	3.52
IP(EA), eV:	-8.66(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-(2-phenoxyethyl)pyridazin-3-one

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)COC3=CC=CC(=C3)N4CCCC4=O)C

DOS

IR

Vibrations