Geometry & MOs

Info

ID:	371370
PubChem CID:	127346017
Reduced:	N2O2C17H20 (1)
Stoich.:	A2B2C17D20 (1)
Weight, g/mol:	379.16444
ΔH_f, kcal/mol:	-49.35
Dipole, Da:	4.42
IP(EA), eV:	-8.72(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dimethyl-7-(3-oxo-3-spiro[2H-indole-3,1'-cyclopropane]-1-ylpropyl)purine-2,6-dione

Drug info:

PubChemData

Smile

CN1CCC(CC1=O)C(=O)N2CC3(CC3)C4=CC=CC=C42

DOS

IR

Vibrations