Geometry & MOs

Info

ID:	343574
PubChem CID:	127266747
Reduced:	SO2N3C17H25 (1)
Stoich.:	AB2C3D17E25 (1)
Weight, g/mol:	303.11384
ΔH_f, kcal/mol:	-52.76
Dipole, Da:	8.08
IP(EA), eV:	-9.16(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-4-(4-methyl-4-phenylpiperidin-1-yl)-1H-pyridazin-6-one

Drug info:

PubChemData

Smile

CC(C)(C)C1CCCN(C1)C2=C(C=C(C=C2)C#N)CS(=O)(=O)N

DOS

IR

Vibrations