Geometry & MOs

Info

ID:	326517
PubChem CID:	126687705
Reduced:	N2C19H38 (1)
Stoich.:	A2B19C38 (1)
Weight, g/mol:	537.366553
ΔH_f, kcal/mol:	-60.37
Dipole, Da:	1.86
IP(EA), eV:	-8.52(2.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,5S)-6-(hydroxymethyl)-3-[1-[2-hydroxy-4-(3-methylbutyl)phenoxy]propan-2-yl]-5-(1-methyl-5-pentylpyrrolidin-2-yl)oxyoxane-2,4-diol

Drug info:

PubChemData

Smile

CC(C)CC1CCC(N1C)CC(C)CCC2CCCN2C

DOS

IR

Vibrations