Geometry & MOs

Info

ID:	240470
PubChem CID:	93580439
Reduced:	NCl3O3H20C21 (1)
Stoich.:	AB3C3D20E21 (1)
Weight, g/mol:	475.008954
ΔH_f, kcal/mol:	-71.03
Dipole, Da:	2.81
IP(EA), eV:	-9.21(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-(2,4-dichlorophenoxy)-3-[(2,4-dichlorophenyl)methyl-(furan-2-ylmethyl)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)Cl

DOS

IR

Vibrations