Geometry & MOs

Info

ID:	186400
PubChem CID:	77427113
Reduced:	NOF4C15H17 (1)
Stoich.:	ABC4D15E17 (1)
Weight, g/mol:	293.154642
ΔH_f, kcal/mol:	-217.75
Dipole, Da:	3.79
IP(EA), eV:	-9.37(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chlorophenyl)-5-(cyclohexylamino)pentan-2-one

Drug info:

PubChemData

Smile

CC(=O)C(CNCC1CC1)C2=CC(=C(C=C2)C(F)(F)F)F

DOS

IR

Vibrations