Geometry & MOs

Info

ID:	139103
PubChem CID:	52472810
Reduced:	N3O3C26H37 (1)
Stoich.:	A3B3C26D37 (1)
Weight, g/mol:	440.291317
ΔH_f, kcal/mol:	-101.49
Dipole, Da:	3.46
IP(EA), eV:	-8.46(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[(R)-[(3S)-1-[[2-methoxy-5-(methoxymethyl)phenyl]methyl]piperidin-1-ium-3-yl]-pyridin-2-ylmethyl]-3-methylbutanamide

Drug info:

PubChemData

Smile

CC(C)CC(=O)N[C@@H]([C@@H]1CCCN(C1)CC2=C(C=CC(=C2)COC)OC)C3=CC=CC=N3

DOS

IR

Vibrations