Geometry & MOs

Info

ID:	25759
PubChem CID:	630494
Reduced:	ClN5C17H24 (1)
Stoich.:	AB5C17D24 (1)
Weight, g/mol:	333.058833
ΔH_f, kcal/mol:	30.92
Dipole, Da:	5.39
IP(EA), eV:	-8.74(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(oxiran-2-yl)-2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridine

Drug info:

PubChemData

Smile

CCCCCCCNC1=NC(=NC(=N1)Cl)NC2=CC=C(C=C2)C

DOS

IR

Vibrations