Geometry & MOs

Info

ID:	389390
PubChem CID:	134992666
Reduced:	BrOC13H19 (1)
Stoich.:	ABC13D19 (1)
Weight, g/mol:	311.01571
ΔH_f, kcal/mol:	-37.98
Dipole, Da:	2.3
IP(EA), eV:	-10.34(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-benzyl-2-(bromomethyl)-4-oxoazetidin-1-yl] acetate

Drug info:

PubChemData

Smile

CCCCC12C3C1C4[C@H](CC3C4C2Br)O

DOS

IR

Vibrations