Geometry & MOs

Info

ID:	404559
PubChem CID:	135066836
Reduced:	NO4H15C18 (1)
Stoich.:	AB4C15D18 (1)
Weight, g/mol:	323.079373
ΔH_f, kcal/mol:	-53.45
Dipole, Da:	3.07
IP(EA), eV:	-8.47(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methyl-1-oxidoquinolin-1-ium-2-yl) 1,3-benzodioxole-5-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=[N+](C2=CC=CC=C12)[O-])OC(=O)C3=CC=C(C=C3)OC

DOS

IR

Vibrations