Geometry & MOs

Info

ID:	159804
PubChem CID:	57288768
Reduced:	ClON2C25H31 (1)
Stoich.:	ABC2D25E31 (1)
Weight, g/mol:	416.216301
ΔH_f, kcal/mol:	-26.01
Dipole, Da:	2.2
IP(EA), eV:	-7.84(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-fluoro-4-(4-fluorophenyl)phenyl] 4-hexoxycyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

CCCCN(CCCC)C1=CC=C(C=C1)C=C2C3=C(C=CC(=C3)CCCl)NC2=O

DOS

IR

Vibrations