Geometry & MOs

Info

ID:	198572
PubChem CID:	79120151
Reduced:	NSF2O3C13H15 (1)
Stoich.:	ABC2D3E13F15 (1)
Weight, g/mol:	205.121512
ΔH_f, kcal/mol:	-193.24
Dipole, Da:	6.24
IP(EA), eV:	-9.74(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[methyl(pyridazin-3-yl)amino]cyclohexan-1-one

Drug info:

PubChemData

Smile

CN(C1CCC(=O)CC1)S(=O)(=O)C2=C(C=CC(=C2)F)F

DOS

IR

Vibrations