Geometry & MOs

Info

ID:	294173
PubChem CID:	117430643
Reduced:	FNO5C12H14 (1)
Stoich.:	ABC5D12E14 (1)
Weight, g/mol:	271.095691
ΔH_f, kcal/mol:	-228.59
Dipole, Da:	7.8
IP(EA), eV:	-9.26(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-acetyl-2,3-dihydroindol-6-yl)-1H-pyrazole-5-carboxylic acid

Drug info:

PubChemData

Smile

C1COC2=CC(=C(C(=C2OC1)C(CN)C(=O)O)O)F

DOS

IR

Vibrations