Geometry & MOs

Info

ID:	52970
PubChem CID:	14709312
Reduced:	BrNC14H14 (1)
Stoich.:	ABC14D14 (1)
Weight, g/mol:	196.112624
ΔH_f, kcal/mol:	52.68
Dipole, Da:	6.79
IP(EA), eV:	-7.79(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-methyl-1-[(E)-2-phenylethenyl]pyridin-1-ium

Drug info:

PubChemData

Smile

CC1=CC=CC=[N+]1/C=C/C2=CC=CC=C2.[Br-]

DOS

IR

Vibrations