Geometry & MOs

Info

ID:	289491
PubChem CID:	104358020
Reduced:	ClNOBr2C12H12 (1)
Stoich.:	ABCD2E12F12 (1)
Weight, g/mol:	298.98249
ΔH_f, kcal/mol:	-36.85
Dipole, Da:	3.73
IP(EA), eV:	-9.7(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-bromo-2-chlorophenyl)-5-propan-2-yl-1H-1,2,4-triazole

Drug info:

PubChemData

Smile

C1CC(C(C1)Br)NC(=O)C2=C(C(=CC=C2)Br)Cl

DOS

IR

Vibrations