Geometry & MOs

Info

ID:	266173
PubChem CID:	103558688
Reduced:	BrON3C12H20 (1)
Stoich.:	ABC3D12E20 (1)
Weight, g/mol:	273.04767
ΔH_f, kcal/mol:	-15.25
Dipole, Da:	5.44
IP(EA), eV:	-9.54(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(bromomethyl)-5-[(1-methoxycyclobutyl)methyl]-4-methyl-1,2,4-triazole

Drug info:

PubChemData

Smile

CCCN1C(=NN=C1CBr)CC2(CCC2)OC

DOS

IR

Vibrations