Geometry & MOs

Info

ID:	134130
PubChem CID:	51650143
Reduced:	SO3N4C26H42 (1)
Stoich.:	AB3C4D26E42 (1)
Weight, g/mol:	251.17461
ΔH_f, kcal/mol:	-124.37
Dipole, Da:	7.35
IP(EA), eV:	-8.77(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

(2-oxo-2-spiro[1,5,6,7-tetrahydroimidazo[4,5-c]pyridin-3-ium-4,4'-piperidine]-1'-ylethyl)azanium

Drug info:

PubChemData

Smile

CC1CCC(CC1)N2C(=O)C3CCCCC3N4C2=NN=C4SCCCOC5CCC(CC5)OC

DOS

IR

Vibrations