Geometry & MOs

Info

ID:	175826
PubChem CID:	75953928
Reduced:	N2O4F6H10C19 (1)
Stoich.:	A2B4C6D10E19 (1)
Weight, g/mol:	427.00309
ΔH_f, kcal/mol:	-383.56
Dipole, Da:	4.59
IP(EA), eV:	-9.72(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-bromo-2-[3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]phenoxy]acetamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)N=CN2C(=O)C=CC3=CC(=C(C=C3)OC(F)(F)F)OC(F)(F)F

DOS

IR

Vibrations