Geometry & MOs

Info

ID:	374631
PubChem CID:	131342058
Reduced:	SN2C5H6 (1)
Stoich.:	AB2C5D6 (1)
Weight, g/mol:	283.97831
ΔH_f, kcal/mol:	49.43
Dipole, Da:	2.15
IP(EA), eV:	-8.54(0.15)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-(6-amino-8-bromo-7H-purin-3-ium-3-yl)-2-oxopropanal

Drug info:

PubChemData

Smile

C1C(NC=CS1)C#N

DOS

IR

Vibrations