Geometry & MOs

Info

ID:	140993
PubChem CID:	52796549
Reduced:	NO5H25C28 (1)
Stoich.:	AB5C25D28 (1)
Weight, g/mol:	352.205873
ΔH_f, kcal/mol:	-105.28
Dipole, Da:	3.27
IP(EA), eV:	-8.67(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2S,6S)-2,6-dimethyl-N-[[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]methyl]morpholine-4-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3/C(=C\C4=CC(=C(C(=C4)OC)O)CC=C)/C2=O

DOS

IR

Vibrations