Geometry & MOs

Info

ID:	44046
PubChem CID:	10500609
Reduced:	N2O2C10H15 (2)
Stoich.:	A2B2C10D15 (2)
Weight, g/mol:	390.226705
ΔH_f, kcal/mol:	-84.75
Dipole, Da:	11.63
IP(EA), eV:	-8.54(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-1,7-bis(6-oxoheptyl)purine-2,6-dione

Drug info:

PubChemData

Smile

CN(C)C1=C(C=C(C(=C1)OC)C(=O)NC[C@@H]2CCCN3[C@@H]2CCCC3)[N+](=O)[O-]

DOS

IR

Vibrations