Geometry & MOs

Info

ID:	209814
PubChem CID:	80725773
Reduced:	Cl2O2N3C14H15 (1)
Stoich.:	A2B2C3D14E15 (1)
Weight, g/mol:	292.164774
ΔH_f, kcal/mol:	-58.83
Dipole, Da:	7.21
IP(EA), eV:	-9.55(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-propyl-1,2,4-triazol-3-yl)methyl]-1,6,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-3,4-dione

Drug info:

PubChemData

Smile

C1CN2C(CN1)CN(C(=O)C2=O)CC3=C(C=CC(=C3)Cl)Cl

DOS

IR

Vibrations