Geometry & MOs

Info

ID:	12910
PubChem CID:	148250
Reduced:	NOC2H2 (4)
Stoich.:	ABC2D2 (4)
Weight, g/mol:	224.054555
ΔH_f, kcal/mol:	-101.1
Dipole, Da:	5.5
IP(EA), eV:	-9.58(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8-methyl-2,6-dioxo-7H-purin-3-yl) acetate

Drug info:

PubChemData

Smile

CC1=NC2=C(N1)C(=O)NC(=O)N2OC(=O)C

DOS

IR

Vibrations