Geometry & MOs

Info

ID:	38292
PubChem CID:	8029362
Reduced:	N3O4C21H21 (1)
Stoich.:	A3B4C21D21 (1)
Weight, g/mol:	332.172265
ΔH_f, kcal/mol:	-63.23
Dipole, Da:	2.3
IP(EA), eV:	-8.78(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4,7-dimethyl-2-(2-piperidin-1-ium-1-ylethyl)purino[8,7-b][1,3]oxazole-1,3-dione

Drug info:

PubChemData

Smile

CN(C)CCN1[C@H](C2=C(C1=O)OC3=C(C2=O)C=CC(=C3)OC)C4=CC=CC=N4

DOS

IR

Vibrations