Geometry & MOs

Info

ID:	245680
PubChem CID:	103022899
Reduced:	ClON3C10H18 (1)
Stoich.:	ABC3D10E18 (1)
Weight, g/mol:	231.11384
ΔH_f, kcal/mol:	-38.29
Dipole, Da:	5.57
IP(EA), eV:	-9.82(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(chloromethyl)-5-(2-methoxypropan-2-yl)-4-propyl-1,2,4-triazole

Drug info:

PubChemData

Smile

CC(C)N1C(=NN=C1C(C)(C)OC)CCl

DOS

IR

Vibrations