Geometry & MOs

Info

ID:	350896
PubChem CID:	127279184
Reduced:	ClN3O3H18C20 (1)
Stoich.:	AB3C3D18E20 (1)
Weight, g/mol:	382.200491
ΔH_f, kcal/mol:	-41.88
Dipole, Da:	3.83
IP(EA), eV:	-8.8(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]-N-(2-cyclopentylpyrazol-3-yl)acetamide

Drug info:

PubChemData

Smile

C1CC(N(C1)CC2=CC(=O)N3C=C(C=CC3=N2)Cl)C4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations