Geometry & MOs

Info

ID:	387617
PubChem CID:	134986186
Reduced:	NO3C12H17 (1)
Stoich.:	AB3C12D17 (1)
Weight, g/mol:	237.021305
ΔH_f, kcal/mol:	-56.3
Dipole, Da:	0.83
IP(EA), eV:	-8.29(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,1,2,2,2-pentafluoroethoxy)benzonitrile

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(CC=C)NO)OC

DOS

IR

Vibrations