Geometry & MOs

Info

ID:	340833
PubChem CID:	127263268
Reduced:	BrNO2C20H32 (1)
Stoich.:	ABC2D20E32 (1)
Weight, g/mol:	509.11615
ΔH_f, kcal/mol:	-89.26
Dipole, Da:	12.94
IP(EA), eV:	-8.65(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(2,4-dimethylpyridin-1-ium-1-yl)octyl 3,5-dinitrobenzoate;bromide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations