Geometry & MOs

Info

ID:	292887
PubChem CID:	117362416
Reduced:	FO4C12H17 (1)
Stoich.:	AB4C12D17 (1)
Weight, g/mol:	244.112425
ΔH_f, kcal/mol:	-192.46
Dipole, Da:	4.48
IP(EA), eV:	-8.61(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(7-fluoro-1,3-dimethylindol-5-yl)-1H-pyrazol-5-amine

Drug info:

PubChemData

Smile

CC(CO)C1=C(C(=CC(=C1F)OC)OC)OC

DOS

IR

Vibrations