Geometry & MOs

Info

ID:	232138
PubChem CID:	87575590
Reduced:	O3C11H16 (1)
Stoich.:	A3B11C16 (1)
Weight, g/mol:	428.03717
ΔH_f, kcal/mol:	-100.45
Dipole, Da:	2.94
IP(EA), eV:	-10.25(0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[(E)-(5-bromo-2-oxo-1H-indol-3-ylidene)methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanoic acid

Drug info:

PubChemData

Smile

C=CCOC(=O)C1CCCC2C(C1)O2

DOS

IR

Vibrations