Geometry & MOs

Info

ID:	259757
PubChem CID:	103173719
Reduced:	BrN3O3C13H14 (1)
Stoich.:	AB3C3D13E14 (1)
Weight, g/mol:	309.078327
ΔH_f, kcal/mol:	-60.3
Dipole, Da:	3.65
IP(EA), eV:	-9.44(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3,4-dimethoxypyridin-2-yl)methylsulfonyl]pyridin-3-amine

Drug info:

PubChemData

Smile

CC1=NC=C(C(=O)N1CC2=NC=CC(=C2OC)OC)Br

DOS

IR

Vibrations