Geometry & MOs

Info

ID:	245678
PubChem CID:	103022876
Reduced:	O2N3C8H15 (1)
Stoich.:	A2B3C8D15 (1)
Weight, g/mol:	247.108755
ΔH_f, kcal/mol:	-58.08
Dipole, Da:	5.08
IP(EA), eV:	-9.77(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C1=NN=C(N1C)CO)OC

DOS

IR

Vibrations