Geometry & MOs

Info

ID:	437912
PubChem CID:	135227306
Reduced:	ON4F6H16C24 (1)
Stoich.:	AB4C6D16E24 (1)
Weight, g/mol:	335.088161
ΔH_f, kcal/mol:	-218.79
Dipole, Da:	7.91
IP(EA), eV:	-8.88(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-2-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=CC(=C(C(=C2)F)NC3=NC(=NC=C3N)C4=CC(=C(C=C4)F)C(F)(F)F)F

DOS

IR

Vibrations