Geometry & MOs

Info

ID:	8907
PubChem CID:	83435
Reduced:	O4N5C15H15 (1)
Stoich.:	A4B5C15D15 (1)
Weight, g/mol:	329.112404
ΔH_f, kcal/mol:	-95.69
Dipole, Da:	4.12
IP(EA), eV:	-9.2(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl pyridine-3-carboxylate

Drug info:

PubChemData

Smile

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCOC(=O)C3=CN=CC=C3

DOS

IR

Vibrations