Geometry & MOs

Info

ID:	229186
PubChem CID:	87567141
Reduced:	ClNO4H18C20 (2)
Stoich.:	ABC4D18E20 (2)
Weight, g/mol:	295.145344
ΔH_f, kcal/mol:	-158.43
Dipole, Da:	8.41
IP(EA), eV:	-8.42(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1-dipropylpiperidin-1-ium-4-one;methyl sulfate

Drug info:

PubChemData

Smile

COC1=CC=CC=C1OCCN(CCC(=O)OOC2=CC=CC3=C2C4=CC=CC=C4N3)C(=O)C5=CC=CC=C5CCl.C1=CC(=CC=C1CCl)C(=O)O

DOS

IR

Vibrations