Geometry & MOs

Info

ID:	185881
PubChem CID:	77365260
Reduced:	O2N4C17H22 (1)
Stoich.:	A2B4C17D22 (1)
Weight, g/mol:	308.221226
ΔH_f, kcal/mol:	-59.66
Dipole, Da:	5.66
IP(EA), eV:	-9.57(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(2,2-dimethylpropyl)-8-methyl-3-(2-methylbutyl)-4,5-dihydropurine-2,6-dione

Drug info:

PubChemData

Smile

CC(C)(C)CN1C2C(NC(=O)NC2=O)N=C1CC3=CC=CC=C3

DOS

IR

Vibrations