Geometry & MOs

Info

ID:	236381
PubChem CID:	92712617
Reduced:	O4N7C22H27 (1)
Stoich.:	A4B7C22D27 (1)
Weight, g/mol:	453.212452
ΔH_f, kcal/mol:	-76.72
Dipole, Da:	5.33
IP(EA), eV:	-8.31(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[[(2R)-3-acetyl-2-[4-(diethylamino)phenyl]-2H-1,3,4-oxadiazol-5-yl]methyl]-1,3-dimethylpurine-2,6-dione

Drug info:

PubChemData

Smile

CCN(CC)C1=CC=C(C=C1)[C@H]2N(N=C(O2)CN3C=NC4=C3N(C(=O)N(C4=O)C)C)C(=O)C

DOS

IR

Vibrations