Geometry & MOs

Info

ID:	192026
PubChem CID:	78215263
Reduced:	N2O2C11H12 (2)
Stoich.:	A2B2C11D12 (2)
Weight, g/mol:	405.216475
ΔH_f, kcal/mol:	-36.1
Dipole, Da:	2.65
IP(EA), eV:	-8.7(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[benzyl(methyl)amino]-1,3-dimethyl-7-[(4-methylphenyl)methyl]-4,5-dihydropurine-2,6-dione

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C2C3C(NNC3OC(=C2C#N)N)C4=CC=CC=C4

DOS

IR

Vibrations