Geometry & MOs

Info

ID:	245681
PubChem CID:	103022907
Reduced:	ClON3C10H18 (1)
Stoich.:	ABC3D10E18 (1)
Weight, g/mol:	217.09819
ΔH_f, kcal/mol:	-35.63
Dipole, Da:	5.28
IP(EA), eV:	-9.9(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(chloromethyl)-5-(2-methoxy-2-methylpropyl)-4-methyl-1,2,4-triazole

Drug info:

PubChemData

Smile

CCCN1C(=NN=C1C(C)(C)OC)CCl

DOS

IR

Vibrations