Geometry & MOs

Info

ID:	358786
PubChem CID:	127296652
Reduced:	ON4C18H22 (1)
Stoich.:	AB4C18D22 (1)
Weight, g/mol:	317.148789
ΔH_f, kcal/mol:	24.03
Dipole, Da:	3.11
IP(EA), eV:	-9.23(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-8-[3-(4-methylidenepiperidin-1-yl)-3-oxopropyl]-7H-purine-2,6-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=C(N=N2)CC(=O)N3CCC(=C)CC3)C

DOS

IR

Vibrations