Geometry & MOs

Info

ID:	445219
PubChem CID:	135265111
Reduced:	NO4C14H17 (1)
Stoich.:	AB4C14D17 (1)
Weight, g/mol:	301.201734
ΔH_f, kcal/mol:	-162.63
Dipole, Da:	6.09
IP(EA), eV:	-10.1(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-ethyl-2-methyloctyl)-2-(trifluoromethyl)pyridine

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)O)N1C(C2=CC=CC=C2C1=O)O

DOS

IR

Vibrations