Geometry & MOs

Info

ID:	159649
PubChem CID:	57288579
Reduced:	NBr2O3H25C26 (1)
Stoich.:	AB2C3D25E26 (1)
Weight, g/mol:	328.189926
ΔH_f, kcal/mol:	-68.86
Dipole, Da:	8.6
IP(EA), eV:	-8.56(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[(1S,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]-1,3-dipropyl-7H-purine-2,6-dione

Drug info:

PubChemData

Smile

CCOC(CC1=CC=C(C=C1)CCCN2C3=C(C=C(C=C3)Br)C4=C2C=CC(=C4)Br)C(=O)O

DOS

IR

Vibrations