Geometry & MOs

Info

ID:	234278
PubChem CID:	92298084
Reduced:	NO3C17H29 (1)
Stoich.:	AB3C17D29 (1)
Weight, g/mol:	357.230394
ΔH_f, kcal/mol:	-137.75
Dipole, Da:	2.36
IP(EA), eV:	-8.84(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[benzyl(2-hydroxyethyl)amino]-3-[2-[(2S)-butan-2-yl]phenoxy]propan-2-ol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations