Geometry & MOs

Info

ID:	52617
PubChem CID:	12015556
Reduced:	O3C16H24 (1)
Stoich.:	A3B16C24 (1)
Weight, g/mol:	292.203845
ΔH_f, kcal/mol:	-110.84
Dipole, Da:	1.71
IP(EA), eV:	-9.51(1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,4Z,8R)-8-[(R)-methoxy-[(1R,2R,3S,4S)-3-methyl-2-bicyclo[2.2.1]hept-5-enyl]methoxy]cyclooct-4-en-1-ol

Drug info:

PubChemData

Smile

C[C@H]1[C@H]2C[C@@H]([C@@H]1[C@H](OC)O[C@@H]3CC=CC[C@@H]3O)C=C2

DOS

IR

Vibrations