Geometry & MOs

Info

ID:	174764
PubChem CID:	75812157
Reduced:	ON2C18H29 (1)
Stoich.:	AB2C18D29 (1)
Weight, g/mol:	408.232088
ΔH_f, kcal/mol:	-26.5
Dipole, Da:	4.79
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753421
Charge, e:	1

Chem-info

IUPAC name:

4-methyl-N-[2-(2-methylpiperidin-1-ium-1-yl)ethyl]-3-piperidin-1-ylsulfonylbenzamide

Drug info:

PubChemData

Smile

CCC(C1=CC=CC=C1)C(=O)NCC[NH+]2CCCCC2C

DOS

IR

Vibrations