Geometry & MOs

Info

ID:	12069
PubChem CID:	128783
Reduced:	NOC15H23 (2)
Stoich.:	ABC15D23 (2)
Weight, g/mol:	466.355929
ΔH_f, kcal/mol:	14.97
Dipole, Da:	13.52
IP(EA), eV:	-3.36(0.0)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

2-(1,4-dimethylpiperidin-1-ium-1-yl)-1-[4-[4-[2-(1,4-dimethylpiperidin-1-ium-1-yl)-1-hydroxyethyl]phenyl]phenyl]ethanol

Drug info:

PubChemData

Smile

CC1CC[N+](CC1)(C)CC(C2=CC=C(C=C2)C3=CC=C(C=C3)C(C[N+]4(CCC(CC4)C)C)O)O

DOS

IR

Vibrations