Geometry & MOs

Info

ID:	314017
PubChem CID:	126619577
Reduced:	NO3C17H29 (1)
Stoich.:	AB3C17D29 (1)
Weight, g/mol:	556.424008
ΔH_f, kcal/mol:	-147.75
Dipole, Da:	1.86
IP(EA), eV:	-9.03(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R)-3-amino-1-[2-[(1R,2R)-3-amino-1-[3-(2-ethylbutoxy)phenyl]-2-methylpropoxy]-5-(2-propylpentoxy)phenyl]-2-methylpropan-1-ol

Drug info:

PubChemData

Smile

CCCC(CCC)COC1=CC=CC(=C1)[C@@H]([C@@H](CN)O)O

DOS

IR

Vibrations