Geometry & MOs

Info

ID:	253809
PubChem CID:	103120791
Reduced:	ON4C12H20 (1)
Stoich.:	AB4C12D20 (1)
Weight, g/mol:	326.195405
ΔH_f, kcal/mol:	-12.89
Dipole, Da:	4.77
IP(EA), eV:	-9.14(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylpentyl)-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(=O)N2CCCCC2CCN

DOS

IR

Vibrations