Geometry & MOs

Info

ID:	427215
PubChem CID:	135156215
Reduced:	Cl2N6H26C29 (1)
Stoich.:	A2B6C26D29 (1)
Weight, g/mol:	263.078013
ΔH_f, kcal/mol:	123.59
Dipole, Da:	3.4
IP(EA), eV:	-8.46(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzylsulfanyl-2-ethoxy-5-fluoropyridine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2CCN(CC2)C3=NC=NC4=C3N=C(N4C5=CC=C(C=C5)Cl)C6=CC=CC=C6Cl

DOS

IR

Vibrations