Geometry & MOs

Info

ID:	250791
PubChem CID:	103099071
Reduced:	BrON6C9H11 (1)
Stoich.:	ABC6D9E11 (1)
Weight, g/mol:	297.03376
ΔH_f, kcal/mol:	36.27
Dipole, Da:	6.53
IP(EA), eV:	-8.64(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-1-(5,6-diethyl-1,2,4-triazin-3-yl)-1,2,4-triazol-3-amine

Drug info:

PubChemData

Smile

CC(C)N1C=CN=C(C1=O)N2C(=NC(=N2)N)Br

DOS

IR

Vibrations