Geometry & MOs

Info

ID:	287352
PubChem CID:	104238655
Reduced:	BrClO2H14C15 (1)
Stoich.:	ABC2D14E15 (1)
Weight, g/mol:	258.065887
ΔH_f, kcal/mol:	-50.32
Dipole, Da:	3.13
IP(EA), eV:	-9.18(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[2-chloro-4-[(1R)-1-hydroxyethyl]phenoxy]acetate

Drug info:

PubChemData

Smile

C[C@H](C1=CC(=C(C=C1)OCC2=CC=CC=C2Br)Cl)O

DOS

IR

Vibrations