Geometry & MOs

Info

ID:	252717
PubChem CID:	103113559
Reduced:	SN3O4C11H17 (1)
Stoich.:	AB3C4D11E17 (1)
Weight, g/mol:	296.148455
ΔH_f, kcal/mol:	-128.7
Dipole, Da:	4.53
IP(EA), eV:	-10.61(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(2-morpholin-4-yl-2-oxoethyl)-5-propyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCCC1=C(N=NN1C2CCS(=O)(=O)C2)C(=O)OC

DOS

IR

Vibrations