Geometry & MOs

Info

ID:	366914
PubChem CID:	127321839
Reduced:	O2N3C21H25 (1)
Stoich.:	A2B3C21D25 (1)
Weight, g/mol:	385.21139
ΔH_f, kcal/mol:	-30.5
Dipole, Da:	5.07
IP(EA), eV:	-8.89(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[3-(2-azaspiro[5.5]undec-9-en-2-yl)-3-oxopropyl]-1,3-dimethylpurine-2,6-dione

Drug info:

PubChemData

Smile

C1CC2(CCC=CC2)CN(C1)C(=O)CCN3C4=CC=CC=C4C(=O)C=N3

DOS

IR

Vibrations