Geometry & MOs

Info

ID:	226930
PubChem CID:	87559030
Reduced:	ClON2C20H23 (1)
Stoich.:	ABC2D20E23 (1)
Weight, g/mol:	255.02588
ΔH_f, kcal/mol:	25.66
Dipole, Da:	5.41
IP(EA), eV:	-8.17(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethenyl-1-ethyl-3-(oxiran-2-yl)pyridin-1-ium;bromide

Drug info:

PubChemData

Smile

CN(C)CCN(C)C1=CC=CC(=C1)C(=O)/C=C/C2=CC=C(C=C2)Cl

DOS

IR

Vibrations