Geometry & MOs

Info

ID:	399473
PubChem CID:	135040478
Reduced:	NO2F3C12H12 (1)
Stoich.:	AB2C3D12E12 (1)
Weight, g/mol:	260.157643
ΔH_f, kcal/mol:	-237.45
Dipole, Da:	7.45
IP(EA), eV:	-8.93(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-tert-butyl-2-(4-fluorophenyl)cyclohexene-1-carbaldehyde

Drug info:

PubChemData

Smile

CC1(CC(=O)C2=C(N1)C=CC(=C2)OC(F)(F)F)C

DOS

IR

Vibrations