Geometry & MOs

Info

ID:	250718
PubChem CID:	103098555
Reduced:	BrON4C10H11 (1)
Stoich.:	ABC4D10E11 (1)
Weight, g/mol:	285.96209
ΔH_f, kcal/mol:	24.18
Dipole, Da:	2.51
IP(EA), eV:	-9.02(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CN2C(=NC(=N2)N)Br)CO

DOS

IR

Vibrations