Geometry & MOs

Info

ID:	271562
PubChem CID:	103684115
Reduced:	FN2O2C12H15 (1)
Stoich.:	AB2C2D12E15 (1)
Weight, g/mol:	331.112126
ΔH_f, kcal/mol:	-89.18
Dipole, Da:	4.65
IP(EA), eV:	-9.2(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-(2-methoxyethyl)-5-[(2-methylsulfanylcyclohexyl)amino]pyridazin-3-one

Drug info:

PubChemData

Smile

COCC(CCO)NC1=C(C(=CC=C1)F)C#N

DOS

IR

Vibrations