Geometry & MOs

Info

ID:	292255
PubChem CID:	114561398
Reduced:	BrFN3C11H11 (1)
Stoich.:	ABC3D11E11 (1)
Weight, g/mol:	196.132411
ΔH_f, kcal/mol:	19.26
Dipole, Da:	7.48
IP(EA), eV:	-9.77(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-aminopentan-2-ylamino)-1H-pyrazin-2-one

Drug info:

PubChemData

Smile

CCCN1C=NN=C1C2=C(C=CC=C2Br)F

DOS

IR

Vibrations