Geometry & MOs

Info

ID:	405496
PubChem CID:	135074172
Reduced:	OC11H14 (1)
Stoich.:	AB11C14 (1)
Weight, g/mol:	416.253418
ΔH_f, kcal/mol:	-18.94
Dipole, Da:	2.31
IP(EA), eV:	-9.12(0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,2R,3S,5S)-6,6-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-bicyclo[3.1.1]heptanyl]ethyl 4-fluorobenzoate

Drug info:

PubChemData

Smile

CC1(CC1CC2=CC=CC=C2)O

DOS

IR

Vibrations