Geometry & MOs

Info

ID:	193277
PubChem CID:	78369007
Reduced:	BrON3H16C17 (1)
Stoich.:	ABC3D16E17 (1)
Weight, g/mol:	359.114903
ΔH_f, kcal/mol:	66.2
Dipole, Da:	4.8
IP(EA), eV:	-9.0(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(5-chloro-2-methylphenyl)-4,7,8-trimethyl-4a,9a-dihydropurino[7,8-a]imidazole-1,3-dione

Drug info:

PubChemData

Smile

CN(CC1=CC=CC=C1Br)CC2=NC(=O)C3C=CC=CC3=N2

DOS

IR

Vibrations