Geometry & MOs

Info

ID:	159012
PubChem CID:	57244517
Reduced:	ClON2H9C13 (1)
Stoich.:	ABC2D9E13 (1)
Weight, g/mol:	409.314478
ΔH_f, kcal/mol:	34.63
Dipole, Da:	6.47
IP(EA), eV:	-9.33(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-(4-butylcyclohexyl)ethyl]-2-fluorophenyl]-5-pentylpyridine

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)C(C#N)C2=C(C=CC(=C2)Cl)O

DOS

IR

Vibrations