Geometry & MOs

Info

ID:	245695
PubChem CID:	103022970
Reduced:	ON4C8H16 (1)
Stoich.:	AB4C8D16 (1)
Weight, g/mol:	253.02879
ΔH_f, kcal/mol:	-12.84
Dipole, Da:	3.97
IP(EA), eV:	-9.72(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-methoxy-2-methylpropyl)-1H-1,2,4-triazole-3-sulfonyl chloride

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations