Geometry & MOs

Info

ID:	163576
PubChem CID:	58036811
Reduced:	SO3C8H10 (1)
Stoich.:	AB3C8D10 (1)
Weight, g/mol:	318.267114
ΔH_f, kcal/mol:	-109.39
Dipole, Da:	5.26
IP(EA), eV:	-10.26(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[2-(5,5-dimethylhexoxy)cyclopentyl]methyl]-4-methylpyridin-2-amine

Drug info:

PubChemData

Smile

[3H]C([3H])([3H])OS(=O)(=O)C1=CC=C(C=C1)C

DOS

IR

Vibrations