Geometry & MOs

Info

ID:	293351
PubChem CID:	117385242
Reduced:	FN3O3C11H12 (1)
Stoich.:	AB3C3D11E12 (1)
Weight, g/mol:	253.091435
ΔH_f, kcal/mol:	-67.62
Dipole, Da:	3.94
IP(EA), eV:	-8.82(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5,7-difluoro-1H-indol-6-yl)-3-methylbutanoic acid

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)C2=NOC(=N2)CN)F

DOS

IR

Vibrations