Geometry & MOs

Info

ID:	282747
PubChem CID:	103937872
Reduced:	SN2O3C15H18 (1)
Stoich.:	AB2C3D15E18 (1)
Weight, g/mol:	262.204513
ΔH_f, kcal/mol:	-71.05
Dipole, Da:	7.0
IP(EA), eV:	-9.59(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[5-(3,4-dimethylcyclohexyl)oxypyridin-2-yl]propan-1-amine

Drug info:

PubChemData

Smile

CC[C@@H](C1=NC=C(C=C1)OC2=CC=C(C=C2)S(=O)(=O)C)N

DOS

IR

Vibrations