Geometry & MOs

Info

ID:	11800
PubChem CID:	121177
Reduced:	ON2C11H21 (2)
Stoich.:	AB2C11D21 (2)
Weight, g/mol:	394.330777
ΔH_f, kcal/mol:	19.94
Dipole, Da:	0.61
IP(EA), eV:	-2.11(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

3-(1-methylpiperidin-1-ium-1-yl)-1-[4-[3-(1-methylpiperidin-1-ium-1-yl)propanoyl]piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

C[N+]1(CCCCC1)CCC(=O)N2CCN(CC2)C(=O)CC[N+]3(CCCCC3)C

DOS

IR

Vibrations