Geometry & MOs

Info

ID:	381057
PubChem CID:	134971685
Reduced:	O3C17H26 (1)
Stoich.:	A3B17C26 (1)
Weight, g/mol:	296.06371
ΔH_f, kcal/mol:	-87.54
Dipole, Da:	4.2
IP(EA), eV:	-9.32(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,4R,5S)-5-(2-iodoethyl)-2,4-dimethyl-2-propyloxolane

Drug info:

PubChemData

Smile

C[C@@H]1[C@@]2([C@@H](O2)[C@](O1)(C)/C=C(\C)/C=C(\C)/[C@H]3C(O3)(C)C)C

DOS

IR

Vibrations