Geometry & MOs

Info

ID:	340823
PubChem CID:	127263258
Reduced:	BrNO2C26H44 (1)
Stoich.:	ABC2D26E44 (1)
Weight, g/mol:	425.19294
ΔH_f, kcal/mol:	-94.1
Dipole, Da:	25.54
IP(EA), eV:	-6.59(-2.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12-(4-methylpyridin-1-ium-1-yl)dodecyl 2-methylprop-2-enoate;bromide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations