Geometry & MOs

Info

ID:	340818
PubChem CID:	127263253
Reduced:	BrN2O2C19H31 (1)
Stoich.:	AB2C2D19E31 (1)
Weight, g/mol:	391.11469
ΔH_f, kcal/mol:	-86.04
Dipole, Da:	13.92
IP(EA), eV:	-8.05(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-pyridin-1-ium-1-yloctyl benzoate;bromide

Drug info:

PubChemData

Smile

CC(=C)C(=O)OCCCCCCCC[N+]1=CC=C(C=C1)N(C)C.[Br-]

DOS

IR

Vibrations