Geometry & MOs

Info

ID:	240469
PubChem CID:	93580436
Reduced:	NCl3O3H20C21 (1)
Stoich.:	AB3C3D20E21 (1)
Weight, g/mol:	439.050877
ΔH_f, kcal/mol:	-70.17
Dipole, Da:	2.17
IP(EA), eV:	-9.1(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-[(2-chlorophenyl)methyl-(furan-2-ylmethyl)amino]-3-(2,4-dichlorophenoxy)propan-2-ol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations