Geometry & MOs

Info

ID:	266172
PubChem CID:	103558684
Reduced:	BrO2N3C12H20 (1)
Stoich.:	AB2C3D12E20 (1)
Weight, g/mol:	301.07897
ΔH_f, kcal/mol:	-46.11
Dipole, Da:	6.82
IP(EA), eV:	-9.68(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COCCN1C(=NN=C1CBr)CC2(CCC2)OC

DOS

IR

Vibrations