Geometry & MOs

Info

ID:	379056
PubChem CID:	134352185
Reduced:	SN2O3C14H20 (1)
Stoich.:	AB2C3D14E20 (1)
Weight, g/mol:	324.196354
ΔH_f, kcal/mol:	-56.83
Dipole, Da:	24.13
IP(EA), eV:	-8.56(-2.58)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

5-(1,1,2,7-tetramethylbenzo[e]indol-3-ium-3-yl)pentanoic acid

Drug info:

PubChemData

Smile

CC1=NC2=C(C1(C)C)C=CC=[N+]2CCCCS(=O)(=O)[O-]

DOS

IR

Vibrations