Geometry & MOs

Info

ID:	266171
PubChem CID:	103558680
Reduced:	ClON3C12H20 (1)
Stoich.:	ABC3D12E20 (1)
Weight, g/mol:	317.07389
ΔH_f, kcal/mol:	-24.17
Dipole, Da:	4.9
IP(EA), eV:	-9.64(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCN1C(=NN=C1CCl)CC2(CCC2)OC

DOS

IR

Vibrations