Geometry & MOs

Info

ID:	177539
PubChem CID:	76199129
Reduced:	O4N5C18H25 (1)
Stoich.:	A4B5C18D25 (1)
Weight, g/mol:	307.023407
ΔH_f, kcal/mol:	-104.26
Dipole, Da:	4.96
IP(EA), eV:	-8.76(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

ethyl 4-chloro-1,8-dioxo-7H-triazolo[4,5-g]quinolin-1-ium-7-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1C2CCNCC2N3C1NNN(C3=O)C4=CC(=CC=C4)OC

DOS

IR

Vibrations