Geometry & MOs

Info

ID:	159352
PubChem CID:	57269661
Reduced:	NO4C12H18 (1)
Stoich.:	AB4C12D18 (1)
Weight, g/mol:	283.108068
ΔH_f, kcal/mol:	-167.67
Dipole, Da:	4.29
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.041071
Charge, e:	0

Chem-info

IUPAC name:

[(2R,5R)-5-(6-aminopurin-9-yl)-3-fluoro-2-methoxyoxolan-2-yl]methanol

Drug info:

PubChemData

Smile

CCOC(=O)C[N+]1=C(C(=C(C(=C1)CO)C)O)C

DOS

IR

Vibrations