Geometry & MOs

Info

ID:	225555
PubChem CID:	85856087
Reduced:	NF2O2C15H19 (1)
Stoich.:	AB2C2D15E19 (1)
Weight, g/mol:	340.043517
ΔH_f, kcal/mol:	-178.55
Dipole, Da:	1.01
IP(EA), eV:	-8.85(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-cyano-3-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzonitrile

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)OCCCCC(=C(F)F)C

DOS

IR

Vibrations