Geometry & MOs

Info

ID:	447362
PubChem CID:	135282270
Reduced:	FON3H8C12 (1)
Stoich.:	ABC3D8E12 (1)
Weight, g/mol:	376.182064
ΔH_f, kcal/mol:	14.46
Dipole, Da:	3.9
IP(EA), eV:	-9.85(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dimethyl-5-[4-(2-methylpyridin-4-yl)-2-methylsulfonylphenoxy]pentan-1-amine

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=N1)F)C#N)C2=CC=NC=C2

DOS

IR

Vibrations