Geometry & MOs

Info

ID:	165577
PubChem CID:	74570172
Reduced:	OF3N4H11C12 (1)
Stoich.:	AB3C4D11E12 (1)
Weight, g/mol:	232.016531
ΔH_f, kcal/mol:	-112.5
Dipole, Da:	6.83
IP(EA), eV:	-8.88(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

3-(7-chloroquinolin-2-yl)prop-2-enoate

Drug info:

PubChemData

Smile

C1C2=CN(NC2C(=O)NN1)C3=CC=CC(=C3)C(F)(F)F

DOS

IR

Vibrations