Geometry & MOs

Info

ID:	435030
PubChem CID:	135178041
Reduced:	FON2H8C12 (2)
Stoich.:	ABC2D8E12 (2)
Weight, g/mol:	431.13578
ΔH_f, kcal/mol:	-11.64
Dipole, Da:	3.01
IP(EA), eV:	-9.15(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(3,4-difluorophenyl)triazol-4-yl]-N-(4-fluoro-3-methylphenyl)quinolin-5-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OC2=CC=CC3=C2C=CC(=N3)C4=CN(N=N4)C5=CC(=C(C=C5)O)F)F

DOS

IR

Vibrations