Geometry & MOs

Info

ID:	259728
PubChem CID:	103173225
Reduced:	BrSN2O2C14H15 (1)
Stoich.:	ABC2D2E14F15 (1)
Weight, g/mol:	242.108899
ΔH_f, kcal/mol:	-21.42
Dipole, Da:	4.42
IP(EA), eV:	-8.6(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3,4-dimethoxypyridin-2-yl)methylsulfanyl]propan-2-amine

Drug info:

PubChemData

Smile

COC1=C(C(=NC=C1)CSC2=C(C=C(C=C2)Br)N)OC

DOS

IR

Vibrations