Geometry & MOs

Info

ID:	240449
PubChem CID:	93580018
Reduced:	BrClNO3C21H25 (1)
Stoich.:	ABCD3E21F25 (1)
Weight, g/mol:	437.10018
ΔH_f, kcal/mol:	-96.5
Dipole, Da:	3.69
IP(EA), eV:	-9.09(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C[C@H](OC1)CN(CC2=CC=C(C=C2)Cl)C[C@H](COC3=CC=CC=C3Br)O

DOS

IR

Vibrations