Geometry & MOs

Info

ID:	52984
PubChem CID:	14709340
Reduced:	ClNO4H12C14 (1)
Stoich.:	ABC4D12E14 (1)
Weight, g/mol:	194.096974
ΔH_f, kcal/mol:	57.32
Dipole, Da:	13.69
IP(EA), eV:	-9.87(-2.02)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

7-methylbenzo[a]quinolizin-5-ium

Drug info:

PubChemData

Smile

CC1=C[N+]2=CC=CC=C2C3=CC=CC=C13.[O-]Cl(=O)(=O)=O

DOS

IR

Vibrations