Geometry & MOs

Info

ID:	253251
PubChem CID:	103117106
Reduced:	N3O4C11H15 (1)
Stoich.:	A3B4C11D15 (1)
Weight, g/mol:	327.190654
ΔH_f, kcal/mol:	-136.4
Dipole, Da:	9.59
IP(EA), eV:	-9.94(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(dimethylamino)ethyl]-5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(=O)NC2(CCOCC2)C(=O)O

DOS

IR

Vibrations