Geometry & MOs

Info

ID:	293211
PubChem CID:	117376702
Reduced:	FNOC15H20 (1)
Stoich.:	ABCD15E20 (1)
Weight, g/mol:	249.152892
ΔH_f, kcal/mol:	-64.79
Dipole, Da:	1.79
IP(EA), eV:	-8.89(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-1-(4-cyclohexyl-3-fluorophenyl)propan-1-one

Drug info:

PubChemData

Smile

C1CCN(C1)CC2=C(C=C(C=C2)CC3(CC3)O)F

DOS

IR

Vibrations