Geometry & MOs

Info

ID:	437955
PubChem CID:	135227350
Reduced:	F2N5H21C25 (1)
Stoich.:	A2B5C21D25 (1)
Weight, g/mol:	469.096201
ΔH_f, kcal/mol:	54.91
Dipole, Da:	4.85
IP(EA), eV:	-9.1(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-prop-2-ynoxyphenyl)-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)C6CC6)C=N2)F

DOS

IR

Vibrations