Geometry & MOs

Info

ID:	9521
PubChem CID:	90512
Reduced:	NOC15H21 (2)
Stoich.:	ABC15D21 (2)
Weight, g/mol:	462.324629
ΔH_f, kcal/mol:	0.93
Dipole, Da:	13.2
IP(EA), eV:	-4.84(0.24)
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)acetyl]phenyl]phenyl]ethanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations