Geometry & MOs

Info

ID:	127952
PubChem CID:	51024525
Reduced:	O5C12H18 (1)
Stoich.:	A5B12C18 (1)
Weight, g/mol:	358.229666
ΔH_f, kcal/mol:	-231.3
Dipole, Da:	4.04
IP(EA), eV:	-10.09(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,4S)-2-[2-[2-[(1R,4R)-2-bicyclo[2.2.1]heptanyl]phenoxy]phenyl]bicyclo[2.2.1]heptane

Drug info:

PubChemData

Smile

CCC1(O[C@H]2C[C@@]3(C[C@@H]([C@H]2O1)OC3=O)O)CC

DOS

IR

Vibrations