Geometry & MOs

Info

ID:	52971
PubChem CID:	14709313
Reduced:	NC14H14 (1)
Stoich.:	AB14C14 (1)
Weight, g/mol:	275.03096
ΔH_f, kcal/mol:	63.26
Dipole, Da:	1.26
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.091259
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=[N+]1/C=C/C2=CC=CC=C2

DOS

IR

Vibrations