Geometry & MOs

Info

ID:	7422
PubChem CID:	72513
Reduced:	N4O5C10H10 (1)
Stoich.:	A4B5C10D10 (1)
Weight, g/mol:	266.065119
ΔH_f, kcal/mol:	-99.4
Dipole, Da:	10.66
IP(EA), eV:	-9.41(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-hydroxy-2-[(1R)-2-oxo-1-(6-oxo-3H-purin-9-yl)ethoxy]propanal

Drug info:

PubChemData

Smile

C1=NC(=O)C2=C(N1)N(C=N2)[C@@H](C=O)O[C@@H](CO)C=O

DOS

IR

Vibrations