Geometry & MOs

Info

ID:	138265
PubChem CID:	52336452
Reduced:	N3O3C20H31 (1)
Stoich.:	A3B3C20D31 (1)
Weight, g/mol:	362.244367
ΔH_f, kcal/mol:	-132.8
Dipole, Da:	5.54
IP(EA), eV:	-8.83(0.05)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(3S)-1-[(2S)-1-[(3-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-N-propylpiperidin-1-ium-3-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)[C@@H]1CCCN(C1)[C@@H](C)C(=O)NCC2=CC(=CC=C2)OC

DOS

IR

Vibrations