Geometry & MOs

Info

ID:	128424
PubChem CID:	51043370
Reduced:	O3N4C16H26 (1)
Stoich.:	A3B4C16D26 (1)
Weight, g/mol:	403.135448
ΔH_f, kcal/mol:	-65.18
Dipole, Da:	5.82
IP(EA), eV:	-8.08(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(1,2-dimethylindol-3-yl)-2-oxoethyl]-6-(4-methylsulfanylphenyl)pyridazin-3-one

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=C(C(=O)C2=O)NCCCN3CCOCC3

DOS

IR

Vibrations