Geometry & MOs

Info

ID:	378446
PubChem CID:	134224527
Reduced:	N2O4C17H28 (1)
Stoich.:	A2B4C17D28 (1)
Weight, g/mol:	259.214744
ΔH_f, kcal/mol:	-161.96
Dipole, Da:	3.34
IP(EA), eV:	-8.6(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S,4S,5R)-2-(hydroxymethyl)-5-nonylpyrrolidine-3,4-diol

Drug info:

PubChemData

Smile

CN(CC[C@@H]1[C@@H]([C@H]([C@@H](N1)CO)O)O)CCC2=CC=C(C=C2)OC

DOS

IR

Vibrations