Geometry & MOs

Info

ID:	437937
PubChem CID:	135227332
Reduced:	ON3F8H13C23 (1)
Stoich.:	AB3C8D13E23 (1)
Weight, g/mol:	533.069827
ΔH_f, kcal/mol:	-307.59
Dipole, Da:	4.61
IP(EA), eV:	-9.2(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1C2=NN3C=NC(=CC3=C2C4=C(C=C(C=C4F)O)F)C5=CC(=C(C=C5)F)C(C(F)(F)F)(F)F

DOS

IR

Vibrations