Geometry & MOs

Info

ID:	225565
PubChem CID:	85856141
Reduced:	ClNF4H6C14 (1)
Stoich.:	ABC4D6E14 (1)
Weight, g/mol:	304.082347
ΔH_f, kcal/mol:	-135.62
Dipole, Da:	3.89
IP(EA), eV:	-10.0(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[4-cyano-3-(trifluoromethyl)phenyl]phenyl]acetamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C2=CC(=C(C=C2)F)Cl)C(F)(F)F)C#N

DOS

IR

Vibrations