Geometry & MOs

Info

ID:	378673
PubChem CID:	134224767
Reduced:	O2N3H11C12 (1)
Stoich.:	A2B3C11D12 (1)
Weight, g/mol:	259.154784
ΔH_f, kcal/mol:	53.61
Dipole, Da:	5.85
IP(EA), eV:	-8.02(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-octan-2-yl-2-(trifluoromethyl)pyridine

Drug info:

PubChemData

Smile

CO/C(=C\C#C)/CC1=NC2=CNC=CN2C1=O

DOS

IR

Vibrations