Geometry & MOs

Info

ID:	441887
PubChem CID:	135246470
Reduced:	NC14H14 (2)
Stoich.:	AB14C14 (2)
Weight, g/mol:	388.156261
ΔH_f, kcal/mol:	77.33
Dipole, Da:	3.69
IP(EA), eV:	-8.88(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-3-fluoro-5-[2-[2-[[4-(trifluoromethyl)phenyl]methyl]pyridin-3-yl]ethyl]pyridine

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1C2=C(N=CC=C2)CC3=CN=C(C=C3)CCC4=CC=CC(=C4)C

DOS

IR

Vibrations