Geometry & MOs

Info

ID:	55894
PubChem CID:	17397128
Reduced:	BrFON2C17H18 (1)
Stoich.:	ABCD2E17F18 (1)
Weight, g/mol:	329.12766
ΔH_f, kcal/mol:	-40.97
Dipole, Da:	3.12
IP(EA), eV:	-8.97(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-(5-phenyl-1H-1,2,4-triazol-3-yl)quinoline-4-carboxamide

Drug info:

PubChemData

Smile

CN(C)C(CNC(=O)C1=C(C=C(C=C1)F)Br)C2=CC=CC=C2

DOS

IR

Vibrations