Geometry & MOs

Info

ID:	391684
PubChem CID:	135008316
Reduced:	N2F3O5H11C14 (1)
Stoich.:	A2B3C5D11E14 (1)
Weight, g/mol:	321.971898
ΔH_f, kcal/mol:	-249.21
Dipole, Da:	5.14
IP(EA), eV:	-9.61(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2-(2,4,6-trichlorophenyl)ethynyl]phenyl]ethanone

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C(=CN1)C2=CC=C(C=C2)OC(F)(F)F)[N+](=O)[O-]

DOS

IR

Vibrations