Geometry & MOs

Info

ID:	165224
PubChem CID:	74519777
Reduced:	F2N2O2H12C17 (1)
Stoich.:	A2B2C2D12E17 (1)
Weight, g/mol:	314.086684
ΔH_f, kcal/mol:	-77.27
Dipole, Da:	3.17
IP(EA), eV:	-8.88(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-3-(3,4-difluorophenyl)-N-(3-methoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)NC(=O)C(=CC2=C(C=CC=C2F)F)C#N

DOS

IR

Vibrations