Geometry & MOs

Info

ID:	259713
PubChem CID:	103172857
Reduced:	BrN2O3H13C15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	269.119798
ΔH_f, kcal/mol:	-16.93
Dipole, Da:	4.64
IP(EA), eV:	-9.4(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3,4-dimethoxypyridin-2-yl)methyl-methylamino]propanethioamide

Drug info:

PubChemData

Smile

COC1=C(C(=NC=C1)COC2=C(C=C(C=C2)Br)C#N)OC

DOS

IR

Vibrations