Geometry & MOs

Info

ID:	56688
PubChem CID:	21317904
Reduced:	NPSO5C11H16 (1)
Stoich.:	ABCD5E11F16 (1)
Weight, g/mol:	421.119319
ΔH_f, kcal/mol:	-232.52
Dipole, Da:	4.36
IP(EA), eV:	-9.04(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[2-chloro-4-(phenoxymethyl)phenyl]methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate

Drug info:

PubChemData

Smile

CCCCOC1=CC(=C(S1)C#N)OP(=O)(OC)OC

DOS

IR

Vibrations