Geometry & MOs

Info

ID:	437915
PubChem CID:	135227310
Reduced:	BrN3F5H7C14 (1)
Stoich.:	AB3C5D7E14 (1)
Weight, g/mol:	291.061946
ΔH_f, kcal/mol:	-172.17
Dipole, Da:	3.02
IP(EA), eV:	-9.76(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C(F)(F)F)C2=CN3C(=NC(=C3Br)C(F)F)C=N2

DOS

IR

Vibrations