Geometry & MOs

Info

ID:	289545
PubChem CID:	104359472
Reduced:	BrCl2N3H8C10 (1)
Stoich.:	AB2C3D8E10 (1)
Weight, g/mol:	360.97482
ΔH_f, kcal/mol:	59.51
Dipole, Da:	5.81
IP(EA), eV:	-9.85(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-bromo-2-chlorophenyl)-5-(chloromethyl)-4-(2-methylpropyl)-1,2,4-triazole

Drug info:

PubChemData

Smile

CN1C(=NN=C1C2=C(C(=CC=C2)Br)Cl)CCl

DOS

IR

Vibrations