Geometry & MOs

Info

ID:	251678
PubChem CID:	103105907
Reduced:	SO3N5C12H15 (1)
Stoich.:	AB3C5D12E15 (1)
Weight, g/mol:	296.148455
ΔH_f, kcal/mol:	-41.47
Dipole, Da:	1.08
IP(EA), eV:	-9.2(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-ethyl-1-(1-morpholin-4-yl-1-oxopropan-2-yl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCC1=C(N=NN1CC(=O)NC2=NC(=CS2)C)C(=O)OC

DOS

IR

Vibrations