Geometry & MOs

Info

ID:	378445
PubChem CID:	134224526
Reduced:	N2O6C11H18 (1)
Stoich.:	A2B6C11D18 (1)
Weight, g/mol:	324.204907
ΔH_f, kcal/mol:	-265.98
Dipole, Da:	2.89
IP(EA), eV:	-9.72(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S,4S,5R)-2-(hydroxymethyl)-5-[2-[2-(4-methoxyphenyl)ethyl-methylamino]ethyl]pyrrolidine-3,4-diol

Drug info:

PubChemData

Smile

C1CN(CC(=O)N2[C@H]1[C@@H]([C@H]([C@@H]2CO)O)O)CC(=O)O

DOS

IR

Vibrations