Geometry & MOs

Info

ID:	441916
PubChem CID:	135246666
Reduced:	N2O2H20C21 (1)
Stoich.:	A2B2C20D21 (1)
Weight, g/mol:	392.17002
ΔH_f, kcal/mol:	20.12
Dipole, Da:	4.06
IP(EA), eV:	-8.67(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,1-difluorohex-5-ynyl)-5-[3-(2-ethylphenyl)pyridin-2-yl]oxypyridine

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C2=C(N=CC=C2)OC3=CN=C(C=C3)C4CCC4

DOS

IR

Vibrations