Geometry & MOs

Info

ID:	232940
PubChem CID:	87577750
Reduced:	OC8H16 (2)
Stoich.:	AB8C16 (2)
Weight, g/mol:	423.143035
ΔH_f, kcal/mol:	-160.77
Dipole, Da:	1.98
IP(EA), eV:	-10.47(0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[2-[(E)-(5-nitro-2-oxo-1H-indol-3-ylidene)methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanoate

Drug info:

PubChemData

Smile

CCCCCC(CCC)C(=O)OCC(CC)CC

DOS

IR

Vibrations