Geometry & MOs

Info

ID:	379057
PubChem CID:	134352187
Reduced:	NO2C21H26 (1)
Stoich.:	AB2C21D26 (1)
Weight, g/mol:	347.142939
ΔH_f, kcal/mol:	-69.1
Dipole, Da:	4.98
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.165010
Charge, e:	1

Chem-info

IUPAC name:

4-(2,3,3-trimethylpyrrolo[2,3-f]quinolin-6-ium-6-yl)butane-1-sulfonic acid

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C3=C(C=C2)[N+](=C(C3(C)C)C)CCCCC(=O)O

DOS

IR

Vibrations