Geometry & MOs

Info

ID:	437948
PubChem CID:	135227343
Reduced:	F5N5H16C23 (1)
Stoich.:	A5B5C16D23 (1)
Weight, g/mol:	497.088671
ΔH_f, kcal/mol:	-116.09
Dipole, Da:	5.75
IP(EA), eV:	-9.44(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=C(C=CC(=C1)C2=CN3C(=NC(=C3C4=C(C5=C(C=C4)NN=C5)F)C(F)(F)F)C=N2)F

DOS

IR

Vibrations