Geometry & MOs

Info

ID:	191459
PubChem CID:	78148268
Reduced:	NO3H15C16 (2)
Stoich.:	AB3C15D16 (2)
Weight, g/mol:	507.240959
ΔH_f, kcal/mol:	-110.8
Dipole, Da:	9.26
IP(EA), eV:	-9.42(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-(3-benzylidene-4-oxocyclopentyl)-3-[(2-methylphenyl)methyl]-2-oxoindole-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C2=CC=CC=C2C(C1=O)(CC3=CC=CC=C3)C4CC(=CC5=CC=C(C=C5)[N+](=O)[O-])C(=O)C4

DOS

IR

Vibrations