Geometry & MOs

Info

ID:	234007
PubChem CID:	92297525
Reduced:	NO3C22H31 (1)
Stoich.:	AB3C22D31 (1)
Weight, g/mol:	295.214744
ΔH_f, kcal/mol:	-105.68
Dipole, Da:	3.09
IP(EA), eV:	-9.1(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

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CC[C@@H](C)C1=CC=CC=C1OC[C@@H](CN(CCO)CC2=CC=CC=C2)O

DOS

IR

Vibrations