Geometry & MOs

Info

ID:	253749
PubChem CID:	103120377
Reduced:	O2N3C15H19 (1)
Stoich.:	A2B3C15D19 (1)
Weight, g/mol:	327.154269
ΔH_f, kcal/mol:	-46.26
Dipole, Da:	4.58
IP(EA), eV:	-8.92(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=N1)C(=O)N[C@H]3CCCC[C@@H]3O

DOS

IR

Vibrations