Geometry & MOs

Info

ID:	314016
PubChem CID:	126619576
Reduced:	NO3C17H27 (1)
Stoich.:	AB3C17D27 (1)
Weight, g/mol:	295.214744
ΔH_f, kcal/mol:	-135.93
Dipole, Da:	1.72
IP(EA), eV:	-9.04(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R)-3-amino-1-[3-(2-propylpentoxy)phenyl]propane-1,2-diol

Drug info:

PubChemData

Smile

C1CCCC(CC1)COC2=CC=CC(=C2)[C@@H]([C@@H](CN)O)O

DOS

IR

Vibrations