Geometry & MOs

Info

ID:	441882
PubChem CID:	135246417
Reduced:	N2O3C22H24 (1)
Stoich.:	A2B3C22D24 (1)
Weight, g/mol:	360.124961
ΔH_f, kcal/mol:	-39.94
Dipole, Da:	1.59
IP(EA), eV:	-8.64(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-ethyl-4-fluorophenyl)-2-[[6-(trifluoromethyl)pyridin-3-yl]methyl]pyridine

Drug info:

PubChemData

Smile

CC(C)(COC)C1=CC=C(C=C1)OC2=C(C=CC=N2)C3=C(N=CC=C3)OC

DOS

IR

Vibrations