Geometry & MOs

Info

ID:	134171
PubChem CID:	51657436
Reduced:	ON5C28H41 (1)
Stoich.:	AB5C28D41 (1)
Weight, g/mol:	418.249452
ΔH_f, kcal/mol:	-8.19
Dipole, Da:	4.28
IP(EA), eV:	-8.3(0.19)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2S,4R)-1-benzyl-N-(2-methoxyethyl)-4-(naphthalen-1-ylmethylamino)pyrrolidin-1-ium-2-carboxamide

Drug info:

PubChemData

Smile

CN1C2=C(C[C@@H](CC2)NCC3(CCCC3)N4CCCCC4)C(=N1)C(=O)N(C)CC5=CC=CC=C5

DOS

IR

Vibrations