Geometry & MOs

Info

ID:	234008
PubChem CID:	92297526
Reduced:	NO3C17H29 (1)
Stoich.:	AB3C17D29 (1)
Weight, g/mol:	295.214744
ΔH_f, kcal/mol:	-141.75
Dipole, Da:	1.79
IP(EA), eV:	-8.87(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[(2S)-3-[2-[(2R)-butan-2-yl]phenoxy]-2-hydroxypropyl]amino]butan-1-ol

Drug info:

PubChemData

Smile

CC[C@@H](C)C1=CC=CC=C1OC[C@@H](CN[C@@H](CC)CO)O

DOS

IR

Vibrations