Geometry & MOs

Info

ID:	283584
PubChem CID:	103990358
Reduced:	SN2O2C15H20 (1)
Stoich.:	AB2C2D15E20 (1)
Weight, g/mol:	305.114234
ΔH_f, kcal/mol:	-54.87
Dipole, Da:	3.84
IP(EA), eV:	-9.33(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-5-[3-(2-hydroxyethoxy)propylamino]-2-(2-methoxyethyl)pyridazin-3-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)(C)C#N)C

DOS

IR

Vibrations