Geometry & MOs

Info

ID:	228622
PubChem CID:	87565433
Reduced:	O2F6N7C22H23 (1)
Stoich.:	A2B6C7D22E23 (1)
Weight, g/mol:	250.084124
ΔH_f, kcal/mol:	-300.03
Dipole, Da:	4.08
IP(EA), eV:	-8.56(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,4S,5R,6R)-5-(4-methoxyphenoxy)-3,8,9-trioxatricyclo[4.2.1.02,4]nonane

Drug info:

PubChemData

Smile

CNC1=NC(=NC2=C1C=CC(=N2)C3=C(C=CC=C3N4CCN(CC4)C)C(F)(F)F)N.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations