Geometry & MOs

Info

ID:	219026
PubChem CID:	85090383
Reduced:	O3H36C38 (1)
Stoich.:	A3B36C38 (1)
Weight, g/mol:	541.379404
ΔH_f, kcal/mol:	-8.68
Dipole, Da:	4.33
IP(EA), eV:	-8.71(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

heptadec-8-enyl 2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium-9-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)OCC4C(OC4=O)CCCCCC5=CC=CC6=CC=CC=C65

DOS

IR

Vibrations