Geometry & MOs

Info

ID:	394967
PubChem CID:	135024319
Reduced:	NO2C25H27 (1)
Stoich.:	AB2C25D27 (1)
Weight, g/mol:	279.101919
ΔH_f, kcal/mol:	-34.19
Dipole, Da:	1.91
IP(EA), eV:	-8.01(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5R)-4-azido-3-fluoro-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octane

Drug info:

PubChemData

Smile

CC1(C(OC(O1)C2=CC=C(C=C2)N(C3=CC=CC=C3)C4=CC=CC=C4)(C)C)C

DOS

IR

Vibrations