Geometry & MOs

Info

ID:	165569
PubChem CID:	74568066
Reduced:	SO2N6C20H26 (1)
Stoich.:	AB2C6D20E26 (1)
Weight, g/mol:	409.27675
ΔH_f, kcal/mol:	-12.5
Dipole, Da:	4.16
IP(EA), eV:	-9.02(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-1-ium-3-yl]methyl]-N-[(1-methylbenzimidazol-2-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

CC1CC(NN1)C(=O)N2CCC(CC2)C(=O)NC3=CC=CC(=C3)C4=NN=C(S4)C

DOS

IR

Vibrations