Geometry & MOs

Info

ID:	202846
PubChem CID:	79733824
Reduced:	N8C13H16 (1)
Stoich.:	A8B13C16 (1)
Weight, g/mol:	257.09827
ΔH_f, kcal/mol:	125.03
Dipole, Da:	3.73
IP(EA), eV:	-8.96(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-(3-ethylcyclohexyl)oxy-3-fluoropyridine

Drug info:

PubChemData

Smile

CCNC1=NC(=NC(=N1)CC2=NC=CN2C)N3C=CC=N3

DOS

IR

Vibrations