Geometry & MOs

Info

ID:	199775
PubChem CID:	79294253
Reduced:	ClN3C14H16 (1)
Stoich.:	AB3C14D16 (1)
Weight, g/mol:	295.108754
ΔH_f, kcal/mol:	44.7
Dipole, Da:	2.06
IP(EA), eV:	-9.33(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]butanoate

Drug info:

PubChemData

Smile

C1CC2CC1CC2N3C(=NC4=C3N=CC=C4)CCl

DOS

IR

Vibrations