Geometry & MOs

Info

ID:	202461
PubChem CID:	79674862
Reduced:	FON3C11H12 (1)
Stoich.:	ABC3D11E12 (1)
Weight, g/mol:	250.095357
ΔH_f, kcal/mol:	-29.19
Dipole, Da:	1.39
IP(EA), eV:	-8.59(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-cyanomorpholin-4-yl)methyl]-5-methylfuran-2-carboxylic acid

Drug info:

PubChemData

Smile

C1COC(CN1C2=C(C=CC(=C2)F)N)C#N

DOS

IR

Vibrations