Geometry & MOs

Info

ID:	165225
PubChem CID:	74519778
Reduced:	F2N2O2H12C17 (1)
Stoich.:	A2B2C2D12E17 (1)
Weight, g/mol:	410.08897
ΔH_f, kcal/mol:	-77.68
Dipole, Da:	2.6
IP(EA), eV:	-9.05(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2,4-bis(difluoromethoxy)phenyl]-2-cyano-N-(3-methoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)NC(=O)C(=CC2=CC(=C(C=C2)F)F)C#N

DOS

IR

Vibrations