Geometry & MOs

Info

ID:	234279
PubChem CID:	92298085
Reduced:	NO3C22H31 (1)
Stoich.:	AB3C22D31 (1)
Weight, g/mol:	295.214744
ΔH_f, kcal/mol:	-104.19
Dipole, Da:	2.86
IP(EA), eV:	-8.74(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[(2S)-3-[2-[(2S)-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(CCO)CC2=CC=CC=C2)O

DOS

IR

Vibrations