Geometry & MOs

Info

ID:	199166
PubChem CID:	79209192
Reduced:	ON2C12H18 (1)
Stoich.:	AB2C12D18 (1)
Weight, g/mol:	250.10659
ΔH_f, kcal/mol:	-25.92
Dipole, Da:	3.23
IP(EA), eV:	-10.24(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(1,2,4-triazol-1-yl)propanoylamino]cyclopent-2-ene-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C#N)NC(=O)C1C2C1CCCC2

DOS

IR

Vibrations