Geometry & MOs

Info

ID:	161271
PubChem CID:	57391214
Reduced:	ClON2H19C28 (1)
Stoich.:	ABC2D19E28 (1)
Weight, g/mol:	265.000267
ΔH_f, kcal/mol:	109.13
Dipole, Da:	7.04
IP(EA), eV:	-8.36(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-1-hydroxy-9-nitrotriazolo[4,5-g]quinoline

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(N3C=CC(=CC3=C2OCC4=CC=C(C=C4)Cl)C#N)C5=CC=CC=C5

DOS

IR

Vibrations