Geometry & MOs

Info

ID:	57123
PubChem CID:	22395365
Reduced:	NOC13H17 (1)
Stoich.:	ABC13D17 (1)
Weight, g/mol:	250.100523
ΔH_f, kcal/mol:	-0.67
Dipole, Da:	0.94
IP(EA), eV:	-9.18(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-fluorophenyl)-4-oxocyclohexyl] acetate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2CCC(=NO)CC2

DOS

IR

Vibrations