Geometry & MOs

Info

ID:	15847
PubChem CID:	453480
Reduced:	O2N5C10H13 (1)
Stoich.:	A2B5C10D13 (1)
Weight, g/mol:	235.106925
ΔH_f, kcal/mol:	-16.77
Dipole, Da:	11.35
IP(EA), eV:	-9.31(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[(3R,5R)-5-(hydroxymethyl)pyrrolidin-3-yl]-3H-purin-6-one

Drug info:

PubChemData

Smile

C1[C@H](CN[C@H]1CO)N2C=NC3=C2NC=NC3=O

DOS

IR

Vibrations