Geometry & MOs

Info

ID:	222668
PubChem CID:	85308780
Reduced:	O2F3N3H10C12 (1)
Stoich.:	A2B3C3D10E12 (1)
Weight, g/mol:	352.183858
ΔH_f, kcal/mol:	-154.99
Dipole, Da:	4.46
IP(EA), eV:	-9.97(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluorophenyl)-3-[2-(phenylmethoxymethylidene)cyclohexyl]propan-1-one

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CCNC(=O)C(F)(F)F)C(=O)C=[N+]=[N-]

DOS

IR

Vibrations