Geometry & MOs

Info

ID:	227586
PubChem CID:	87562046
Reduced:	OC11H21 (4)
Stoich.:	AB11C21 (4)
Weight, g/mol:	478.258006
ΔH_f, kcal/mol:	-344.16
Dipole, Da:	0.48
IP(EA), eV:	-10.58(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3E)-3-[3-[4-[acetyl-(3-amino-3-methylbutyl)amino]anilino]propylidene]-2-oxo-1H-indole-6-carboxylate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCC(CCCCOC(=O)/C=C/C(=O)OCCCCC(CCCCCCCCCCCC)C(C)C)C(C)C

DOS

IR

Vibrations