Geometry & MOs

Info

ID:	374169
PubChem CID:	131324804
Reduced:	ON3C10H11 (1)
Stoich.:	AB3C10D11 (1)
Weight, g/mol:	213.019271
ΔH_f, kcal/mol:	4.83
Dipole, Da:	8.09
IP(EA), eV:	-9.26(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-methyl-5,7-dihydrofuro[3,4-b]pyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CN1C2=C(CNCC2)C=C(C1=O)C#N

DOS

IR

Vibrations