Geometry & MOs

Info

ID:	341182
PubChem CID:	127263617
Reduced:	FH11C12 (1)
Stoich.:	AB11C12 (1)
Weight, g/mol:	253.02146
ΔH_f, kcal/mol:	-22.11
Dipole, Da:	2.23
IP(EA), eV:	-8.83(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-1-tert-butylbenzotriazole

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C=CC(=C2)CF

DOS

IR

Vibrations