Geometry & MOs

Info

ID:	250733
PubChem CID:	103098696
Reduced:	BrON5C11H18 (1)
Stoich.:	ABC5D11E18 (1)
Weight, g/mol:	284.03851
ΔH_f, kcal/mol:	-16.71
Dipole, Da:	3.61
IP(EA), eV:	-9.11(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCCC(CC1)NC(=O)CN2C(=NC(=N2)N)Br

DOS

IR

Vibrations