Geometry & MOs

Info

ID:	381491
PubChem CID:	134972247
Reduced:	O3C8H11 (2)
Stoich.:	A3B8C11 (2)
Weight, g/mol:	170.13068
ΔH_f, kcal/mol:	-245.17
Dipole, Da:	2.03
IP(EA), eV:	-8.93(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-5-ol

Drug info:

PubChemData

Smile

CC1(O[C@@H]2COC([C@H]([C@@H]2O1)OCC3=CC=C(C=C3)OC)O)C

DOS

IR

Vibrations