Geometry & MOs

Info

ID:	335927
PubChem CID:	127254934
Reduced:	O3N6H20C22 (1)
Stoich.:	A3B6C20D22 (1)
Weight, g/mol:	353.073574
ΔH_f, kcal/mol:	-15.95
Dipole, Da:	3.06
IP(EA), eV:	-9.2(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-methoxy-4-oxo-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1H-quinoline-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=NC(=NN1)NC(=O)CN2C3C4=CC=CC=C4C(=O)N3C5=CC=CC=C5C2=O

DOS

IR

Vibrations