Geometry & MOs

Info

ID:	66238
PubChem CID:	46500480
Reduced:	FO2N4C17H25 (1)
Stoich.:	AB2C4D17E25 (1)
Weight, g/mol:	449.07389
ΔH_f, kcal/mol:	-38.51
Dipole, Da:	8.08
IP(EA), eV:	-8.56(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-3-[[5-bromo-1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]methylidene]-1H-indol-2-one

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C2=CC(=C(C=C2[N+](=O)[O-])F)N3CCCCC3

DOS

IR

Vibrations