Geometry & MOs

Info

ID:	200593
PubChem CID:	79415343
Reduced:	NOC13H23 (1)
Stoich.:	ABC13D23 (1)
Weight, g/mol:	249.134049
ΔH_f, kcal/mol:	-69.7
Dipole, Da:	5.13
IP(EA), eV:	-10.55(1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-hydroxy-4-(trifluoromethyl)cyclohexyl]pentanenitrile

Drug info:

PubChemData

Smile

CCCC(C#N)C1(CC(CCC1C)C)O

DOS

IR

Vibrations