Geometry & MOs

Info

ID:	201019
PubChem CID:	79473959
Reduced:	O3N4C8H14 (1)
Stoich.:	A3B4C8D14 (1)
Weight, g/mol:	247.132077
ΔH_f, kcal/mol:	-65.27
Dipole, Da:	5.39
IP(EA), eV:	-9.89(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CNC(=O)COCCN

DOS

IR

Vibrations