Geometry & MOs

Info

ID:	250794
PubChem CID:	103099095
Reduced:	BrN5H10C12 (1)
Stoich.:	AB5C10D12 (1)
Weight, g/mol:	253.99156
ΔH_f, kcal/mol:	96.92
Dipole, Da:	1.62
IP(EA), eV:	-9.15(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-1-(3-methylpyrazin-2-yl)-1,2,4-triazol-3-amine

Drug info:

PubChemData

Smile

CC1=NC2=CC=CC=C2C(=C1)N3C(=NC(=N3)N)Br

DOS

IR

Vibrations