Geometry & MOs

Info

ID:	438192
PubChem CID:	135227882
Reduced:	FO2N6C23H25 (1)
Stoich.:	AB2C6D23E25 (1)
Weight, g/mol:	410.165523
ΔH_f, kcal/mol:	55.15
Dipole, Da:	9.33
IP(EA), eV:	-8.37(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3,5-dimethyltriazol-4-yl)-N-(3-fluoropyridin-2-yl)-N-phenylquinolin-4-amine

Drug info:

PubChemData

Smile

CCN(/C(=C(/C1=CC(=C(C=C1)[N+](=O)[O-])NC(C2=CC=CC=C2)C3=C(C=CC=N3)F)\N)/C)N

DOS

IR

Vibrations