Geometry & MOs

Info

ID:	207826
PubChem CID:	80454779
Reduced:	FNOSC13H16 (1)
Stoich.:	ABCDE13F16 (1)
Weight, g/mol:	241.123342
ΔH_f, kcal/mol:	-54.93
Dipole, Da:	5.67
IP(EA), eV:	-9.16(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-5-octoxypyridine

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1OCCCCCCS)F)C#N

DOS

IR

Vibrations