Geometry & MOs

Info

ID:	349441
PubChem CID:	127275228
Reduced:	ClN3O3H20C21 (1)
Stoich.:	AB3C3D20E21 (1)
Weight, g/mol:	396.216141
ΔH_f, kcal/mol:	-50.97
Dipole, Da:	3.1
IP(EA), eV:	-8.79(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-cyclopentylpyrazol-3-yl)-2-[2-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]acetamide

Drug info:

PubChemData

Smile

C1CC(N(C1)CC2=CC(=O)N3C=C(C=CC3=N2)Cl)C4=C5C(=CC=C4)OCCO5

DOS

IR

Vibrations