Geometry & MOs

Info

ID:	177471
PubChem CID:	76190069
Reduced:	FO4C37H49 (1)
Stoich.:	AB4C37D49 (1)
Weight, g/mol:	429.157623
ΔH_f, kcal/mol:	-194.21
Dipole, Da:	2.81
IP(EA), eV:	-9.54(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(4-methoxyphenyl)-1,4-dimethyl-2-[(4-methyl-5-oxo-2H-furan-2-yl)oxymethylidene]-1H-cyclopenta[b]indol-3-one

Drug info:

PubChemData

Smile

CC(=C)C1CCC2(C1C3CCC4C(C3(CC2)C)(CCC5C4(CC=C(C5(C)C)C6=CC(=C(C=C6)C(=O)O)F)C)C)C(=O)O

DOS

IR

Vibrations