Geometry & MOs

Info

ID:	47038
PubChem CID:	10529079
Reduced:	NOC4H8 (4)
Stoich.:	ABC4D8 (4)
Weight, g/mol:	490.197611
ΔH_f, kcal/mol:	-192.16
Dipole, Da:	5.74
IP(EA), eV:	-9.15(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-9-[(2R,3R,4R,5R)-3-[1-(2-fluorophenyl)-4-methoxypiperidin-4-yl]oxy-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one

Drug info:

PubChemData

Smile

C1CNCCNCCCN(CCN(C1)CCC(=O)O)CCC(=O)O

DOS

IR

Vibrations