Geometry & MOs

Info

ID:	266170
PubChem CID:	103558679
Reduced:	ClON3C11H18 (1)
Stoich.:	ABC3D11E18 (1)
Weight, g/mol:	257.12949
ΔH_f, kcal/mol:	-20.27
Dipole, Da:	4.44
IP(EA), eV:	-9.59(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C(=NN=C1CCl)CC2(CCC2)OC

DOS

IR

Vibrations