Geometry & MOs

Info

ID:	209317
PubChem CID:	80652354
Reduced:	F3N4H11C12 (1)
Stoich.:	A3B4C11D12 (1)
Weight, g/mol:	222.11907
ΔH_f, kcal/mol:	-89.86
Dipole, Da:	1.18
IP(EA), eV:	-8.44(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3-methylcyclohexyl)sulfanylpyridin-2-amine

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CNC2=NC=C(N=C2)N)C(F)(F)F

DOS

IR

Vibrations