Geometry & MOs

Info

ID:	240464
PubChem CID:	93580391
Reduced:	NCl2O3C21H21 (1)
Stoich.:	AB2C3D21E21 (1)
Weight, g/mol:	499.152843
ΔH_f, kcal/mol:	-61.65
Dipole, Da:	3.03
IP(EA), eV:	-9.02(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(2,4-dichlorophenoxy)-3-[[(2R)-oxolan-2-yl]methyl-[(3,4,5-trimethoxyphenyl)methyl]amino]propan-2-ol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN(CC2=CC=CO2)C[C@H](COC3=C(C=C(C=C3)Cl)Cl)O

DOS

IR

Vibrations