Geometry & MOs

Info

ID:	303794
PubChem CID:	124490187
Reduced:	OC9H14 (2)
Stoich.:	AB9C14 (2)
Weight, g/mol:	316.188589
ΔH_f, kcal/mol:	-101.9
Dipole, Da:	4.61
IP(EA), eV:	-9.8(2.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[(2R,3S)-3-[(1S,2R)-1-(methoxymethoxy)-2-methylbut-3-enyl]oxiran-2-yl]-2-[(2R)-oxan-2-yl]oxyethanol

Drug info:

PubChemData

Smile

C[C@@]12C[C@@H]3[C@@H](C3(C)C)[C@H]4[C@@]1(O2)[C@@H]5CCCC[C@@]5(CC4)O

DOS

IR

Vibrations