Geometry & MOs

Info

ID:	250741
PubChem CID:	103098733
Reduced:	BrSN4C8H9 (1)
Stoich.:	ABC4D8E9 (1)
Weight, g/mol:	324.06981
ΔH_f, kcal/mol:	72.15
Dipole, Da:	2.47
IP(EA), eV:	-9.01(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CSC=C1CCN2C(=NC(=N2)N)Br

DOS

IR

Vibrations