Geometry & MOs

Info

ID:	378494
PubChem CID:	134224580
Reduced:	O2N5C29H35 (1)
Stoich.:	A2B5C29D35 (1)
Weight, g/mol:	259.154784
ΔH_f, kcal/mol:	31.11
Dipole, Da:	6.14
IP(EA), eV:	-8.2(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CC2CCC1CC(C2)(C)NC3=C(N=C4N3C=CN=C4)C5=C(C=C(C=C5)C6=C(ON=C6C)C)OC

DOS

IR

Vibrations