Geometry & MOs

Info

ID:	250804
PubChem CID:	103099194
Reduced:	BrO2N6H7C8 (1)
Stoich.:	AB2C6D7E8 (1)
Weight, g/mol:	298.97664
ΔH_f, kcal/mol:	73.49
Dipole, Da:	11.24
IP(EA), eV:	-9.12(-1.0)
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-amine

Drug info:

PubChemData

Smile

C1=CN=C(C=C1N)CN2C(=NC(=N2)[N+](=O)[O-])Br

DOS

IR

Vibrations