Geometry & MOs

Info

ID:	54177
PubChem CID:	14743456
Reduced:	NO5C25H27 (1)
Stoich.:	AB5C25D27 (1)
Weight, g/mol:	511.184232
ΔH_f, kcal/mol:	-106.11
Dipole, Da:	3.9
IP(EA), eV:	-8.26(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,6-dimethoxyphenoxy)-N-[[(2R,3R)-3-phenyl-2,3-dihydro-1,4-benzodioxin-2-yl]methyl]ethanamine;oxalic acid

Drug info:

PubChemData

Smile

COC1=C(C(=CC=C1)OC)OCCNC[C@H]2[C@H](OC3=CC=CC=C3O2)C4=CC=CC=C4

DOS

IR

Vibrations