Geometry & MOs

Info

ID:	11802
PubChem CID:	121179
Reduced:	N4O4C9H12 (1)
Stoich.:	A4B4C9D12 (1)
Weight, g/mol:	240.085855
ΔH_f, kcal/mol:	-119.07
Dipole, Da:	5.3
IP(EA), eV:	-10.15(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-dimethyl-2,6-dioxo-4,5-dihydropurin-7-yl)acetic acid

Drug info:

PubChemData

Smile

CN1C2C(C(=O)N(C1=O)C)N(C=N2)CC(=O)O

DOS

IR

Vibrations