Geometry & MOs

Info

ID:	393132
PubChem CID:	135019480
Reduced:	N4O4C17H26 (1)
Stoich.:	A4B4C17D26 (1)
Weight, g/mol:	313.117489
ΔH_f, kcal/mol:	-101.36
Dipole, Da:	2.85
IP(EA), eV:	-9.37(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[(E)-benzylideneamino]oxy-1,3,7-trimethylpurine-2,6-dione

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(CC1)NCCC2=C(C=NC=C2)[N+](=O)[O-]

DOS

IR

Vibrations