Geometry & MOs

Info

ID:	350897
PubChem CID:	127279185
Reduced:	O3N4C21H26 (1)
Stoich.:	A3B4C21D26 (1)
Weight, g/mol:	371.184506
ΔH_f, kcal/mol:	-52.75
Dipole, Da:	6.44
IP(EA), eV:	-8.75(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide

Drug info:

PubChemData

Smile

C1CCC(C1)N2C(=CC=N2)NC(=O)CN3CCCC3C4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations