Geometry & MOs

Info

ID:	129294
PubChem CID:	51072197
Reduced:	O2N4H6C7 (1)
Stoich.:	A2B4C6D7 (1)
Weight, g/mol:	169.085127
ΔH_f, kcal/mol:	10.26
Dipole, Da:	4.2
IP(EA), eV:	-10.52(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7S,8aS)-7-amino-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=N2)C(=O)O)N=N1

DOS

IR

Vibrations