Geometry & MOs

Info

ID:	52615
PubChem CID:	12015553
Reduced:	BrO3C20H31 (1)
Stoich.:	AB3C20D31 (1)
Weight, g/mol:	254.151809
ΔH_f, kcal/mol:	-73.38
Dipole, Da:	3.86
IP(EA), eV:	-9.56(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H]1[C@H]2C[C@H]3[C@@H]1[C@@H](O[C@@H]([C@@H](O[C@H]3[C@@H]2Br)CCC=C)CCC=C)OC

DOS

IR

Vibrations