Geometry & MOs

Info

ID:	437951
PubChem CID:	135227346
Reduced:	NC9H13 (4)
Stoich.:	AB9C13 (4)
Weight, g/mol:	431.192152
ΔH_f, kcal/mol:	38.99
Dipole, Da:	2.77
IP(EA), eV:	-8.03(0.65)
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-propan-2-ylimidazo[1,2-a]pyrazine

Drug info:

PubChemData

Smile

CCCC(=C)CC1C/C(=C/C(=NC)C(C(C2=CC(=CC1=C2)C(C)(C)C)(C)C)CCC3=NC4=C(CCCN4)C=C3)/N

DOS

IR

Vibrations