Geometry & MOs

Info

ID:	240448
PubChem CID:	93580001
Reduced:	BrClNO3C21H21 (1)
Stoich.:	ABCD3E21F21 (1)
Weight, g/mol:	453.07063
ΔH_f, kcal/mol:	-49.57
Dipole, Da:	1.92
IP(EA), eV:	-9.09(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-(2-bromophenoxy)-3-[(4-chlorophenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]propan-2-ol

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CN(CC2=CC=CO2)C[C@H](COC3=CC=CC=C3Br)O)Cl

DOS

IR

Vibrations