Geometry & MOs

Info

ID:	350832
PubChem CID:	127279120
Reduced:	ClON3C17H20 (1)
Stoich.:	ABC3D17E20 (1)
Weight, g/mol:	345.168856
ΔH_f, kcal/mol:	-2.37
Dipole, Da:	3.33
IP(EA), eV:	-9.33(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(2-cyclobutylpyrrolidin-1-yl)acetamide

Drug info:

PubChemData

Smile

C1CC(C1)C2CCCN2CC(=O)NC3=C(C=CC(=C3)Cl)C#N

DOS

IR

Vibrations