Geometry & MOs

Info

ID:	149321
PubChem CID:	53788993
Reduced:	N4O5H14C15 (1)
Stoich.:	A4B5C14D15 (1)
Weight, g/mol:	342.132805
ΔH_f, kcal/mol:	-52.85
Dipole, Da:	3.36
IP(EA), eV:	-8.92(-2.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[(2R,3R,5S)-3-hydroxy-5-(phenylmethoxymethyl)oxolan-2-yl]-3H-purin-6-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)NN=C2C=C(C=CC2=O)[N+](=O)[O-])O)NC(=O)C

DOS

IR

Vibrations