Geometry & MOs

Info

ID:	340819
PubChem CID:	127263254
Reduced:	BrNO2C20H26 (1)
Stoich.:	ABC2D20E26 (1)
Weight, g/mol:	405.13034
ΔH_f, kcal/mol:	-7.01
Dipole, Da:	36.45
IP(EA), eV:	-5.45(-3.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-pyridin-1-ium-1-yloctyl 2-phenylacetate;bromide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)OCCCCCCCC[N+]2=CC=CC=C2.[Br-]

DOS

IR

Vibrations