Geometry & MOs

Info

ID:	395765
PubChem CID:	135026479
Reduced:	NO3C29H35 (1)
Stoich.:	AB3C29D35 (1)
Weight, g/mol:	445.261694
ΔH_f, kcal/mol:	-67.1
Dipole, Da:	1.86
IP(EA), eV:	-9.11(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S,4S,5S)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-5-propylpyrrolidine

Drug info:

PubChemData

Smile

CCC[C@@H]1[C@@H]([C@H]([C@@H](N1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4

DOS

IR

Vibrations