Geometry & MOs

Info

ID:	201225
PubChem CID:	79508812
Reduced:	BrClN4H8C9 (1)
Stoich.:	ABC4D8E9 (1)
Weight, g/mol:	271.94644
ΔH_f, kcal/mol:	80.16
Dipole, Da:	4.39
IP(EA), eV:	-9.12(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromo-2-chlorophenyl)triazol-4-amine

Drug info:

PubChemData

Smile

CC1=C(N=NN1C2=C(C=C(C=C2)Br)Cl)N

DOS

IR

Vibrations