Geometry & MOs

Info

ID:	352931
PubChem CID:	127284021
Reduced:	ON2C9H12 (2)
Stoich.:	AB2C9D12 (2)
Weight, g/mol:	317.148789
ΔH_f, kcal/mol:	-30.63
Dipole, Da:	9.23
IP(EA), eV:	-8.92(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,7-dimethyl-1-[2-(4-methylidenepiperidin-1-yl)-2-oxoethyl]purine-2,6-dione

Drug info:

PubChemData

Smile

CC1=C(C(=O)N=C2C1=C(NN2C)C)CCC(=O)N3CCC(=C)CC3

DOS

IR

Vibrations