Geometry & MOs

Info

ID:	405934
PubChem CID:	135076032
Reduced:	OF3N3H4C12 (1)
Stoich.:	AB3C3D4E12 (1)
Weight, g/mol:	314.132965
ΔH_f, kcal/mol:	-82.76
Dipole, Da:	4.13
IP(EA), eV:	-10.09(-2.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-(3-cyclopropylprop-2-ynyl)-2-(3,3-difluoroprop-2-enyl)propanedioate

Drug info:

PubChemData

Smile

C1=CC2=C(C(=C1)C(F)(F)F)NC(=O)C2=C(C#N)C#N

DOS

IR

Vibrations