Geometry & MOs

Info

ID:	385330
PubChem CID:	134978797
Reduced:	BrOC14H19 (1)
Stoich.:	ABC14D19 (1)
Weight, g/mol:	235.084458
ΔH_f, kcal/mol:	-28.77
Dipole, Da:	3.14
IP(EA), eV:	-9.66(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4R,5S)-4-hydroxy-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methyl acetate

Drug info:

PubChemData

Smile

C=C[C@@H](CCCCBr)[C@H](C1=CC=CC=C1)O

DOS

IR

Vibrations