Geometry & MOs

Info

ID:	52987
PubChem CID:	14709349
Reduced:	ClNO5C14H14 (1)
Stoich.:	ABC5D14E14 (1)
Weight, g/mol:	311.05605
ΔH_f, kcal/mol:	7.84
Dipole, Da:	11.38
IP(EA), eV:	-9.62(-2.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylphenyl)-2-pyridin-1-ium-1-ylethanone;perchlorate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)C[N+]2=CC=CC=C2.[O-]Cl(=O)(=O)=O

DOS

IR

Vibrations