Geometry & MOs

Info

ID:	340821
PubChem CID:	127263256
Reduced:	BrNO2C28H40 (1)
Stoich.:	ABC2D28E40 (1)
Weight, g/mol:	436.17254
ΔH_f, kcal/mol:	-44.27
Dipole, Da:	35.03
IP(EA), eV:	-6.41(-2.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CC=[N+](C=C2)CCCCCCCCCCCCOC(=O)C(=C)C.[Br-]

DOS

IR

Vibrations