Geometry & MOs

Info

ID:	397021
PubChem CID:	135029609
Reduced:	OC21H24 (1)
Stoich.:	AB21C24 (1)
Weight, g/mol:	357.139174
ΔH_f, kcal/mol:	-19.15
Dipole, Da:	0.82
IP(EA), eV:	-8.31(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

6-benzo[b]quinolizin-5-ium-9-ylphenanthridine

Drug info:

PubChemData

Smile

CCCC1=C(C2=C(C=CC(=C2)OC)C3=CC=CC=C31)CCC

DOS

IR

Vibrations