Geometry & MOs

Info

ID:	266169
PubChem CID:	103558678
Reduced:	ClON3C12H18 (1)
Stoich.:	ABC3D12E18 (1)
Weight, g/mol:	243.11384
ΔH_f, kcal/mol:	8.94
Dipole, Da:	6.58
IP(EA), eV:	-9.71(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1(CCC1)CC2=NN=C(N2C3CC3)CCl

DOS

IR

Vibrations