Geometry & MOs

Info

ID:	298547
PubChem CID:	117650977
Reduced:	BrFOC21H26 (1)
Stoich.:	ABCD21E26 (1)
Weight, g/mol:	136.049744
ΔH_f, kcal/mol:	-88.69
Dipole, Da:	4.78
IP(EA), eV:	-8.6(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-2H-triazolo[4,5-e][1,2,4]triazine

Drug info:

PubChemData

Smile

CC(C)(C)C1CCC(CC1)OC2=C(C3=C(C=C2)C=C(C=C3)Br)CF

DOS

IR

Vibrations