Geometry & MOs

Info

ID:	437914
PubChem CID:	135227309
Reduced:	F2O3N5C12H15 (1)
Stoich.:	A2B3C5D12E15 (1)
Weight, g/mol:	390.97435
ΔH_f, kcal/mol:	-177.3
Dipole, Da:	2.31
IP(EA), eV:	-9.3(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=NC(=C2C(=N1)N(C=N2)[C@H]3C(C(C(C3(F)F)CCO)O)O)N

DOS

IR

Vibrations