Geometry & MOs

Info

ID:	340820
PubChem CID:	127263255
Reduced:	BrNO2C21H28 (1)
Stoich.:	ABC2D21E28 (1)
Weight, g/mol:	501.22424
ΔH_f, kcal/mol:	-5.35
Dipole, Da:	55.37
IP(EA), eV:	-5.25(-4.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12-[4-(4-methylphenyl)pyridin-1-ium-1-yl]dodecyl 2-methylprop-2-enoate;bromide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations