Geometry & MOs

Info

ID:	240471
PubChem CID:	93580441
Reduced:	NO3Cl4H19C21 (1)
Stoich.:	AB3C4D19E21 (1)
Weight, g/mol:	439.131714
ΔH_f, kcal/mol:	-73.61
Dipole, Da:	1.36
IP(EA), eV:	-9.2(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(2,4-dichlorophenoxy)-3-[(4-methoxyphenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]propan-2-ol

Drug info:

PubChemData

Smile

C1=COC(=C1)CN(CC2=C(C=C(C=C2)Cl)Cl)C[C@H](COC3=C(C=C(C=C3)Cl)Cl)O

DOS

IR

Vibrations