Geometry & MOs

Info

ID:	37576
PubChem CID:	8022395
Reduced:	SO2N3C18H29 (1)
Stoich.:	AB2C3D18E29 (1)
Weight, g/mol:	206.178299
ΔH_f, kcal/mol:	-101.98
Dipole, Da:	4.84
IP(EA), eV:	-8.78(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

benzyl-(1-methylpiperidin-1-ium-4-yl)azanium

Drug info:

PubChemData

Smile

C1C[C@H](OC1)CNC(=S)NNC(=O)CC23CC4CC(C2)CC(C4)C3

DOS

IR

Vibrations