Geometry & MOs

Info

ID:	374269
PubChem CID:	131326012
Reduced:	SC4H4N4 (1)
Stoich.:	AB4C4D4 (1)
Weight, g/mol:	239.98983
ΔH_f, kcal/mol:	97.36
Dipole, Da:	6.8
IP(EA), eV:	-10.32(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-bromo-4-methoxypyridin-2-yl)propanenitrile

Drug info:

PubChemData

Smile

C(C1=C(N=NS1)C#N)N

DOS

IR

Vibrations