Geometry & MOs

Info

ID:	185766
PubChem CID:	77344761
Reduced:	N2O2C15H23 (1)
Stoich.:	A2B2C15D23 (1)
Weight, g/mol:	222.111676
ΔH_f, kcal/mol:	-77.81
Dipole, Da:	3.16
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.898194
Charge, e:	0

Chem-info

IUPAC name:

3,7-dimethyl-8-prop-2-enyl-4,5-dihydropurine-2,6-dione

Drug info:

PubChemData

Smile

CCCCC=C(CCC)N1C(=O)C(=C)C=[N+](C1=O)C

DOS

IR

Vibrations