Geometry & MOs

Info

ID:	159720
PubChem CID:	57288665
Reduced:	NOC8H13 (1)
Stoich.:	ABC8D13 (1)
Weight, g/mol:	356.287929
ΔH_f, kcal/mol:	-27.92
Dipole, Da:	1.7
IP(EA), eV:	-8.91(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-(4-butylcyclohexyl)-2-cyclohex-3-en-1-ylethyl]-2-fluoro-1-methylbenzene

Drug info:

PubChemData

Smile

CN1CCC(=CC1)CC=O

DOS

IR

Vibrations