Geometry & MOs

Info

ID:	317823
PubChem CID:	126646236
Reduced:	ClNO2C6H12 (1)
Stoich.:	ABC2D6E12 (1)
Weight, g/mol:	571.157105
ΔH_f, kcal/mol:	-116.66
Dipole, Da:	4.36
IP(EA), eV:	-10.06(1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-(4-fluorophenyl)-2-methyl-N-[3-(3-methylsulfonylphenoxy)propyl]propan-1-amine

Drug info:

PubChemData

Smile

C1[C@H]2[C@@H]1[C@H]([C@H]([C@@H]2N)O)O.Cl

DOS

IR

Vibrations