Geometry & MOs

Info

ID:	392283
PubChem CID:	135014112
Reduced:	NO11C20H27 (1)
Stoich.:	AB11C20D27 (1)
Weight, g/mol:	268.04628
ΔH_f, kcal/mol:	-435.61
Dipole, Da:	4.28
IP(EA), eV:	-10.2(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E,2R)-5-bromo-2-methylpent-3-enoxy]methylbenzene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@H](C#N)OC2[C@@H](C(C([C@H](O2)CO[C@H]3C(C([C@@H](C(O3)CO)O)O)O)O)O)O

DOS

IR

Vibrations