Geometry & MOs

Info

ID:	340822
PubChem CID:	127263257
Reduced:	BrN2O2C22H33 (1)
Stoich.:	AB2C2D22E33 (1)
Weight, g/mol:	481.25554
ΔH_f, kcal/mol:	-56.53
Dipole, Da:	6.63
IP(EA), eV:	-8.73(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

16-(4-methylpyridin-1-ium-1-yl)hexadecyl 2-methylprop-2-enoate;bromide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations