Geometry & MOs

Info

ID:	159553
PubChem CID:	57288447
Reduced:	ON2C25H36 (1)
Stoich.:	AB2C25D36 (1)
Weight, g/mol:	386.298494
ΔH_f, kcal/mol:	-34.31
Dipole, Da:	1.78
IP(EA), eV:	-8.08(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[1-(3-fluoroprop-2-enyl)cyclohexyl]cyclohexyl]-4-pentoxybenzene

Drug info:

PubChemData

Smile

CCCN(C1CCC(CC1)(C2=CC(=CC=C2)O)N(C)C)C3=CC(=CC(=C3)C)C

DOS

IR

Vibrations