Geometry & MOs

Info

ID:	221964
PubChem CID:	85292999
Reduced:	NO8C21H21 (1)
Stoich.:	AB8C21D21 (1)
Weight, g/mol:	418.189257
ΔH_f, kcal/mol:	-271.29
Dipole, Da:	1.48
IP(EA), eV:	-8.94(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-phenyl-2-[1-(3-phenylprop-2-enoyl)pyrrolidin-2-yl]-4,5-dihydro-1,3-oxazole-4-carboxylate

Drug info:

PubChemData

Smile

C1OC2=C(O1)C(=C3C(=C2)C4C(C(C(C(C4O)O)O)O)NC3=O)OCC5=CC=CC=C5

DOS

IR

Vibrations