Geometry & MOs

Info

ID:	133353
PubChem CID:	51513932
Reduced:	ON3C25H30 (1)
Stoich.:	AB3C25D30 (1)
Weight, g/mol:	388.238888
ΔH_f, kcal/mol:	24.76
Dipole, Da:	3.43
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.317385
Charge, e:	1

Chem-info

IUPAC name:

(2S)-N-naphthalen-1-yl-2-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]propanamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC=CC2=CC=CC=C21)NCC3=CC=CC=C3C[NH+]4CCCC4

DOS

IR

Vibrations