Geometry & MOs

Info

ID:	45078
PubChem CID:	10507817
Reduced:	SN5O7H27C30 (1)
Stoich.:	AB5C7D27E30 (1)
Weight, g/mol:	602.23693
ΔH_f, kcal/mol:	-95.69
Dipole, Da:	12.29
IP(EA), eV:	-9.42(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(cyclooctylmethyl)-1-propylpiperidin-1-ium-4-yl]-9H-xanthene-9-carboxamide;iodide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)CN1C2=CC=CC=C2C(=NC(C1=O)NS(=O)(=O)C3=CC=CC4=C3N=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-]

DOS

IR

Vibrations