Geometry & MOs

Info

ID:	45720
PubChem CID:	10516948
Reduced:	NO2C18H19 (1)
Stoich.:	AB2C18D19 (1)
Weight, g/mol:	280.98738
ΔH_f, kcal/mol:	-28.22
Dipole, Da:	5.85
IP(EA), eV:	-8.92(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-1-[(E)-2-thiophen-3-ylethenyl]pyridin-1-ium;bromide

Drug info:

PubChemData

Smile

CC1(C(NC1=O)C2=CC=C(C=C2)OCC3=CC=CC=C3)C

DOS

IR

Vibrations