Geometry & MOs

Info

ID:	437919
PubChem CID:	135227314
Reduced:	ON3F7H14C22 (1)
Stoich.:	AB3C7D14E22 (1)
Weight, g/mol:	483.073021
ΔH_f, kcal/mol:	-266.21
Dipole, Da:	16.85
IP(EA), eV:	-8.1(-2.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NC2=CNC(=CN2C1=C3C(=CC(=O)C=C3F)F)C4=CC(=CC=C4)C(C(F)(F)F)(F)F

DOS

IR

Vibrations