Geometry & MOs

Info

ID:	441541
PubChem CID:	135235957
Reduced:	NOF2H6C9 (2)
Stoich.:	ABC2D6E9 (2)
Weight, g/mol:	200.104859
ΔH_f, kcal/mol:	-184.29
Dipole, Da:	9.94
IP(EA), eV:	-9.14(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-hydroxy-2,5-dimethyl-2,3-dihydrofuran-4-yl) butanoate

Drug info:

PubChemData

Smile

COC1=C(C(=CC=C1)F)C2=C(N=CC=C2)OC3=CN=C(C=C3)C(F)(F)F

DOS

IR

Vibrations