Geometry & MOs

Info

ID:	214609
PubChem CID:	85083272
Reduced:	O9H30C32 (1)
Stoich.:	A9B30C32 (1)
Weight, g/mol:	409.239222
ΔH_f, kcal/mol:	-257.44
Dipole, Da:	5.9
IP(EA), eV:	-8.98(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-methyl-2,4,6-tris[2-(1-methylpyrrol-2-yl)ethenyl]pyridin-1-ium

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC(=O)OCC2=CC=CC=C2)OC)C3C4C(COC4=O)C(C5=CC6=C(C=C35)OCO6)CC=C

DOS

IR

Vibrations