Geometry & MOs

Info

ID:	239158
PubChem CID:	93166069
Reduced:	NO4C17H29 (1)
Stoich.:	AB4C17D29 (1)
Weight, g/mol:	311.209658
ΔH_f, kcal/mol:	-156.23
Dipole, Da:	2.05
IP(EA), eV:	-8.54(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R)-3-[(2,3-dimethoxyphenyl)methyl-(3-methoxypropyl)amino]butan-2-ol

Drug info:

PubChemData

Smile

C[C@@H]([C@H](C)O)N(CCCOC)CC1=C(C(=CC=C1)OC)OC

DOS

IR

Vibrations