Geometry & MOs

Info

ID:	250811
PubChem CID:	103099249
Reduced:	BrSO2H7N8C9 (1)
Stoich.:	ABC2D7E8F9 (1)
Weight, g/mol:	313.98753
ΔH_f, kcal/mol:	133.41
Dipole, Da:	9.81
IP(EA), eV:	-9.54(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[(5-bromo-3-nitro-1,2,4-triazol-1-yl)methyl]pyrazin-2-yl]hydrazine

Drug info:

PubChemData

Smile

C1=CSC2=NC(=NC(=C21)NN)CN3C(=NC(=N3)[N+](=O)[O-])Br

DOS

IR

Vibrations