Geometry & MOs

Info

ID:	144762
PubChem CID:	53409110
Reduced:	BrO3C9H9 (1)
Stoich.:	AB3C9D9 (1)
Weight, g/mol:	303.00255
ΔH_f, kcal/mol:	-106.17
Dipole, Da:	4.65
IP(EA), eV:	-9.51(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-bromo-4-chloro-3,5-dimethylphenoxy)pyrrolidine

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC=C1)Br)C(=O)O

DOS

IR

Vibrations