Geometry & MOs

Info

ID:	401716
PubChem CID:	135052235
Reduced:	NCl2H17C21 (1)
Stoich.:	AB2C17D21 (1)
Weight, g/mol:	319.05718
ΔH_f, kcal/mol:	60.09
Dipole, Da:	3.15
IP(EA), eV:	-8.67(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-ethyl-2-methylpyridin-1-ium-1-yl)-1-phenylethanone;bromide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)N=C(C2=CC=CC=C2Cl)C3=CC=CC=C3Cl

DOS

IR

Vibrations