Geometry & MOs

Info

ID:	159426
PubChem CID:	57280138
Reduced:	NOC16H21 (1)
Stoich.:	ABC16D21 (1)
Weight, g/mol:	370.303579
ΔH_f, kcal/mol:	-16.42
Dipole, Da:	3.71
IP(EA), eV:	-8.84(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-cyclohex-3-en-1-yl-1-(4-hexylcyclohexyl)ethyl]-4-fluorobenzene

Drug info:

PubChemData

Smile

C1CC[C@@]23CCN[C@@H]([C@@H]2C1)C(C4=CC=CC=C34)O

DOS

IR

Vibrations