Geometry & MOs

Info

ID:	202851
PubChem CID:	79733829
Reduced:	N7C14H23 (1)
Stoich.:	A7B14C23 (1)
Weight, g/mol:	253.012826
ΔH_f, kcal/mol:	47.49
Dipole, Da:	4.33
IP(EA), eV:	-8.88(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzylsulfanyl-5-chloro-3-fluoropyridine

Drug info:

PubChemData

Smile

CCCN1C=CN=C1CC2=NC(=NC(=N2)N(CC)CC)N

DOS

IR

Vibrations