Geometry & MOs

Info

ID:	228402
PubChem CID:	87564221
Reduced:	NOF3H3C5 (2)
Stoich.:	ABC3D3E5 (2)
Weight, g/mol:	369.113171
ΔH_f, kcal/mol:	-341.41
Dipole, Da:	1.54
IP(EA), eV:	-10.8(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[2-chloro-4-(2-methylpropoxy)phenoxy]quinolin-6-yl]acetaldehyde

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(F)(F)F)C(F)(F)F.C(=N)=O.C(=N)=O

DOS

IR

Vibrations