Geometry & MOs

Info

ID:	240447
PubChem CID:	93579785
Reduced:	FNO3C23H30 (1)
Stoich.:	ABC3D23E30 (1)
Weight, g/mol:	449.03933
ΔH_f, kcal/mol:	-144.34
Dipole, Da:	3.72
IP(EA), eV:	-9.06(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-(2-bromophenoxy)-3-[(2-chlorophenyl)methyl-(furan-2-ylmethyl)amino]propan-2-ol

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)CN(C[C@H]2CCCO2)C[C@@H](COC3=CC=CC=C3F)O

DOS

IR

Vibrations