Geometry & MOs

Info

ID:	375280
PubChem CID:	131485279
Reduced:	BrO2N4C9H9 (1)
Stoich.:	AB2C4D9E9 (1)
Weight, g/mol:	283.99089
ΔH_f, kcal/mol:	0.0
Dipole, Da:	3.02
IP(EA), eV:	-9.61(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-bromo-8-methyl-7H-purine-2-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C(C1=C2N=CC(=CN2N=C1)Br)N

DOS

IR

Vibrations