Geometry & MOs

Info

ID:	340824
PubChem CID:	127263259
Reduced:	BrNO2C22H36 (1)
Stoich.:	ABC2D22E36 (1)
Weight, g/mol:	369.13034
ΔH_f, kcal/mol:	-57.1
Dipole, Da:	37.03
IP(EA), eV:	-5.29(-3.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(4-methylpyridin-1-ium-1-yl)octyl 2-methylprop-2-enoate;bromide

Drug info:

PubChemData

Smile

CC1=CC=[N+](C=C1)CCCCCCCCCCCCOC(=O)C(=C)C.[Br-]

DOS

IR

Vibrations