Geometry & MOs

Info

ID:	403551
PubChem CID:	135060770
Reduced:	ON2H22C24 (1)
Stoich.:	AB2C22D24 (1)
Weight, g/mol:	430.189257
ΔH_f, kcal/mol:	70.33
Dipole, Da:	2.83
IP(EA), eV:	-7.79(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3Z,4aR)-2-(4-methylphenyl)-3-[(2-oxo-1,3-oxazolidin-3-yl)methylidene]-4,4a-dihydro-2H-carbazole-9-carboxylate

Drug info:

PubChemData

Smile

C1CN(C(=C(/C=C/C2=CC=CC=C2)O)N1C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations