Geometry & MOs

Info

ID:	373585
PubChem CID:	131317520
Reduced:	ClNF3C11H11 (1)
Stoich.:	ABC3D11E11 (1)
Weight, g/mol:	200.094963
ΔH_f, kcal/mol:	-142.67
Dipole, Da:	4.44
IP(EA), eV:	-9.39(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-oxo-2,4-dihydroquinolin-1-yl)propanenitrile

Drug info:

PubChemData

Smile

C1C[C@H](NC1)C2=C(C(=C(C=C2)Cl)C(F)F)F

DOS

IR

Vibrations