Geometry & MOs

Info

ID:	395488
PubChem CID:	135025584
Reduced:	O4C17H18 (1)
Stoich.:	A4B17C18 (1)
Weight, g/mol:	305.046377
ΔH_f, kcal/mol:	-114.14
Dipole, Da:	3.08
IP(EA), eV:	-9.59(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3,5,6-tetrafluoro-4-[(E)-3-oxo-3-phenylprop-1-enyl]benzonitrile

Drug info:

PubChemData

Smile

COC(=O)C1(CC2CC1C=C2)C(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations