Geometry & MOs

Info

ID:	136751
PubChem CID:	52094315
Reduced:	ClFN2O2H12C17 (1)
Stoich.:	ABC2D2E12F17 (1)
Weight, g/mol:	376.059025
ΔH_f, kcal/mol:	-77.16
Dipole, Da:	9.28
IP(EA), eV:	-8.61(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(2-chlorophenyl)-N-[6-(trifluoromethyl)quinolin-4-yl]prop-2-enamide

Drug info:

PubChemData

Smile

CN1C=C(C(=O)C2=C1C=CC(=C2)Cl)C(=O)NC3=CC=C(C=C3)F

DOS

IR

Vibrations