Geometry & MOs

Info

ID:	435342
PubChem CID:	135191253
Reduced:	O3N8H14C16 (1)
Stoich.:	A3B8C14D16 (1)
Weight, g/mol:	325.128723
ΔH_f, kcal/mol:	15.09
Dipole, Da:	7.71
IP(EA), eV:	-9.07(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-6-amino-9-benzyl-2-(3-methyl-2H-1,2,4-oxadiazol-5-ylidene)-1,6-dihydropurin-8-one

Drug info:

PubChemData

Smile

C1=CC(=NC=C1CN2C3=NC(=NC(=C3NC2=O)N)C4=NC=CN4)OCC=O

DOS

IR

Vibrations