Geometry & MOs

Info

ID:	35658
PubChem CID:	7980160
Reduced:	NO5C23H31 (1)
Stoich.:	AB5C23D31 (1)
Weight, g/mol:	401.220223
ΔH_f, kcal/mol:	-174.42
Dipole, Da:	2.78
IP(EA), eV:	-8.66(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[[(2S)-2-hydroxy-3-[(2-methoxyphenyl)methoxy]propyl]-[[(2S)-oxolan-2-yl]methyl]amino]methyl]phenol

Drug info:

PubChemData

Smile

COC1=CC=CC=C1COC[C@@H](CN(C[C@@H]2CCCO2)CC3=CC=CC=C3O)O

DOS

IR

Vibrations