Geometry & MOs

Info

ID:	167356
PubChem CID:	74814278
Reduced:	NOC6H6 (2)
Stoich.:	ABC6D6 (2)
Weight, g/mol:	425.304228
ΔH_f, kcal/mol:	-32.3
Dipole, Da:	7.87
IP(EA), eV:	-9.84(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

N-(1-benzylpyrrolidin-1-ium-3-yl)-3-[1-[(5-ethylfuran-2-yl)methyl]piperidin-1-ium-4-yl]propanamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CC=N2)CC(C(=O)[O-])[NH3+]

DOS

IR

Vibrations