Geometry & MOs

Info

ID:	85392
PubChem CID:	49874709
Reduced:	N2O3C11H12 (1)
Stoich.:	A2B3C11D12 (1)
Weight, g/mol:	220.084792
ΔH_f, kcal/mol:	-71.75
Dipole, Da:	6.57
IP(EA), eV:	-9.43(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-amino-6-methoxy-4-methylfuro[2,3-b]pyridin-2-yl)ethanone

Drug info:

PubChemData

Smile

CC1=CC(=NC(=C1C#N)OCC(=O)C)OC

DOS

IR

Vibrations