Geometry & MOs

Info

ID:	340826
PubChem CID:	127263261
Reduced:	BrN2O2C27H47 (1)
Stoich.:	AB2C2D27E47 (1)
Weight, g/mol:	454.21949
ΔH_f, kcal/mol:	-59.72
Dipole, Da:	126.88
IP(EA), eV:	-4.44(-3.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations