Geometry & MOs

Info

ID:	240465
PubChem CID:	93580405
Reduced:	NCl2O6C24H31 (1)
Stoich.:	AB2C6D24E31 (1)
Weight, g/mol:	409.084764
ΔH_f, kcal/mol:	-217.84
Dipole, Da:	3.41
IP(EA), eV:	-8.8(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-(2,4-dichlorophenoxy)-3-[furan-2-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]propan-2-ol

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)CN(C[C@H]2CCCO2)C[C@@H](COC3=C(C=C(C=C3)Cl)Cl)O

DOS

IR

Vibrations