Geometry & MOs

Info

ID:	171697
PubChem CID:	75413981
Reduced:	ON4C12H16 (1)
Stoich.:	AB4C12D16 (1)
Weight, g/mol:	324.077342
ΔH_f, kcal/mol:	43.89
Dipole, Da:	4.73
IP(EA), eV:	-8.91(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(trifluoromethyl)phenyl] 1-(4-fluorophenyl)cyclopropane-1-carboxylate

Drug info:

PubChemData

Smile

CCCCN1N=C(N=N1)C2=CC(=CC=C2)OC

DOS

IR

Vibrations