Geometry & MOs

Info

ID:	388351
PubChem CID:	134988868
Reduced:	O3C12H14 (1)
Stoich.:	A3B12C14 (1)
Weight, g/mol:	287.93195
ΔH_f, kcal/mol:	-87.43
Dipole, Da:	4.72
IP(EA), eV:	-9.79(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-1-bromo-2-chlorobut-1-enyl] 2-chlorobutanoate

Drug info:

PubChemData

Smile

C[C@@H]1[C@H](OC1=O)COCC2=CC=CC=C2

DOS

IR

Vibrations