Geometry & MOs

Info

ID:	259729
PubChem CID:	103173235
Reduced:	SN2O2C11H18 (1)
Stoich.:	AB2C2D11E18 (1)
Weight, g/mol:	256.124549
ΔH_f, kcal/mol:	-57.02
Dipole, Da:	3.74
IP(EA), eV:	-8.59(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3,4-dimethoxypyridin-2-yl)methylsulfanyl]butan-2-amine

Drug info:

PubChemData

Smile

CC(CSCC1=NC=CC(=C1OC)OC)N

DOS

IR

Vibrations