Geometry & MOs

Info

ID:	289543
PubChem CID:	104359469
Reduced:	BrOCl2N3C12H12 (1)
Stoich.:	ABC2D3E12F12 (1)
Weight, g/mol:	360.97482
ΔH_f, kcal/mol:	19.06
Dipole, Da:	6.37
IP(EA), eV:	-9.79(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COCCN1C(=NN=C1C2=C(C(=CC=C2)Br)Cl)CCl

DOS

IR

Vibrations