Geometry & MOs

Info

ID:	31031
PubChem CID:	854191
Reduced:	BrNOC12H16 (1)
Stoich.:	ABCD12E16 (1)
Weight, g/mol:	251.138225
ΔH_f, kcal/mol:	-41.98
Dipole, Da:	3.87
IP(EA), eV:	-9.86(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(ethylamino)-3-methyl-7-propan-2-ylpurine-2,6-dione

Drug info:

PubChemData

Smile

CCC[C@H](C)NC(=O)C1=CC=C(C=C1)Br

DOS

IR

Vibrations