Geometry & MOs

Info

ID:	250729
PubChem CID:	103098644
Reduced:	BrON4C7H11 (1)
Stoich.:	ABC4D7E11 (1)
Weight, g/mol:	284.03851
ΔH_f, kcal/mol:	-0.86
Dipole, Da:	3.17
IP(EA), eV:	-9.07(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-1,2,4-triazol-3-amine

Drug info:

PubChemData

Smile

C1COCC1CN2C(=NC(=N2)N)Br

DOS

IR

Vibrations