Geometry & MOs

Info

ID:	437928
PubChem CID:	135227323
Reduced:	FO3N5C11H14 (1)
Stoich.:	AB3C5D11E14 (1)
Weight, g/mol:	473.127501
ΔH_f, kcal/mol:	-125.7
Dipole, Da:	1.79
IP(EA), eV:	-9.22(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-yloxyphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine

Drug info:

PubChemData

Smile

C1=NC(=C2C(=N1)N(C=N2)C3[C@@H](C(C(C3O)O)CO)F)N

DOS

IR

Vibrations