Geometry & MOs

Info

ID:	150061
PubChem CID:	53789746
Reduced:	NC25H32 (1)
Stoich.:	AB25C32 (1)
Weight, g/mol:	436.370516
ΔH_f, kcal/mol:	71.2
Dipole, Da:	0.66
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.105084
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(4-hex-5-enoxycyclohexyl)phenyl]-4-pentylbicyclo[2.2.2]octane

Drug info:

PubChemData

Smile

CCCCCC(CC1=CC=CC2=CC=CC=C21)[N+](C)(C)C3=CC=CC=C3

DOS

IR

Vibrations