Geometry & MOs

Info

ID:	209327
PubChem CID:	80652715
Reduced:	BrNF2O2C15H18 (1)
Stoich.:	ABC2D2E15F18 (1)
Weight, g/mol:	193.09636
ΔH_f, kcal/mol:	-185.43
Dipole, Da:	4.19
IP(EA), eV:	-9.45(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-aminopyrazin-2-yl)piperazin-2-one

Drug info:

PubChemData

Smile

C1CCC(C1)N(CCBr)C(=O)C2=CC(=CC=C2)OC(F)F

DOS

IR

Vibrations