Geometry & MOs

Info

ID:	143820
PubChem CID:	53267292
Reduced:	BrFN2O2H12C17 (1)
Stoich.:	ABC2D2E12F17 (1)
Weight, g/mol:	402.03792
ΔH_f, kcal/mol:	-27.88
Dipole, Da:	6.77
IP(EA), eV:	-9.11(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(4-bromo-2-fluorophenyl)-2-cyano-3-(4-propoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1/C=C(\C#N)/C(=O)NC2=C(C=C(C=C2)Br)F

DOS

IR

Vibrations