Geometry & MOs

Info

ID:	250765
PubChem CID:	103098933
Reduced:	BrN5H8C10 (1)
Stoich.:	AB5C8D10 (1)
Weight, g/mol:	295.00687
ΔH_f, kcal/mol:	102.84
Dipole, Da:	5.43
IP(EA), eV:	-9.11(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-amino-5-bromo-1,2,4-triazol-1-yl)-4-methylbenzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C#N)N2C(=NC(=N2)N)Br

DOS

IR

Vibrations