Geometry & MOs

Info

ID:

379058

PubChem CID:

134352189

Reduced:

SN2O3C18H23 (1)

Stoich.:

AB2C3D18E23 (1)

Weight, g/mol:

225.139174

ΔHf, kcal/mol:

-89.78

Dipole, Da:

6.04

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.306643

Charge, e:

 1

Chem-info

IUPAC name:

2,3,3,6-tetramethylpyrrolo[2,3-f]quinolin-6-ium

Drug info:

PubChemData

Smile

CC1=NC2=C(C1(C)C)C=CC3=C2C=CC=[N+]3CCCCS(=O)(=O)O

DOS

IR

Vibrations