Geometry & MOs

Info

ID:	437947
PubChem CID:	135227342
Reduced:	F2N5H21C24 (1)
Stoich.:	A2B5C21D24 (1)
Weight, g/mol:	457.132586
ΔH_f, kcal/mol:	29.4
Dipole, Da:	5.4
IP(EA), eV:	-9.06(-0.92)
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-ylphenyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine

Drug info:

PubChemData

Smile

CCC1=C(N2C=C(N=CC2=N1)C3=CC(=C(C=C3)F)C(C)C)C4=C(C5=C(C=C4)NN=C5)F

DOS

IR

Vibrations