Geometry & MOs

Info

ID:	252611
PubChem CID:	103112645
Reduced:	SN3O5C12H19 (1)
Stoich.:	AB3C5D12E19 (1)
Weight, g/mol:	239.163377
ΔH_f, kcal/mol:	-188.26
Dipole, Da:	3.06
IP(EA), eV:	-10.54(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 1-butyl-5-methyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(N=NN1C2CS(=O)(=O)CC2O)C(=O)OC(C)(C)C

DOS

IR

Vibrations