Geometry & MOs

Info

ID:	289538
PubChem CID:	104359463
Reduced:	BrClN3C11H11 (1)
Stoich.:	ABC3D11E11 (1)
Weight, g/mol:	296.96684
ΔH_f, kcal/mol:	58.06
Dipole, Da:	6.65
IP(EA), eV:	-9.82(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-bromo-2-chlorophenyl)-4-cyclopropyl-1,2,4-triazole

Drug info:

PubChemData

Smile

CC(C)N1C=NN=C1C2=C(C(=CC=C2)Br)Cl

DOS

IR

Vibrations