Geometry & MOs

Info

ID:	389412
PubChem CID:	134992801
Reduced:	BrO3C13H15 (1)
Stoich.:	AB3C13D15 (1)
Weight, g/mol:	262.05684
ΔH_f, kcal/mol:	-102.55
Dipole, Da:	3.33
IP(EA), eV:	-9.93(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,3S)-1-bromo-1-cyclohexylpent-4-ene-2,3-diol

Drug info:

PubChemData

Smile

CCOC(=O)/C=C/[C@H]([C@@H](C1=CC=CC=C1)O)Br

DOS

IR

Vibrations