Geometry & MOs

Info

ID:	250721
PubChem CID:	103098580
Reduced:	BrClN6C9H12 (1)
Stoich.:	ABC6D9E12 (1)
Weight, g/mol:	294.01162
ΔH_f, kcal/mol:	59.27
Dipole, Da:	2.9
IP(EA), eV:	-8.96(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1,2,4-triazol-3-amine

Drug info:

PubChemData

Smile

CCN1C(=C(C(=N1)C)Cl)CN2C(=NC(=N2)N)Br

DOS

IR

Vibrations