Geometry & MOs

Info

ID:	372577
PubChem CID:	131300094
Reduced:	BrNSF2O2H4C9 (1)
Stoich.:	ABCD2E2F4G9 (1)
Weight, g/mol:	225.030504
ΔH_f, kcal/mol:	-63.18
Dipole, Da:	3.98
IP(EA), eV:	-9.54(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(8-chloroimidazo[1,5-a]pyrazin-1-yl)acetate

Drug info:

PubChemData

Smile

C1=C(C=C(C2=C1C(=CS2)Br)C(F)F)[N+](=O)[O-]

DOS

IR

Vibrations