Geometry & MOs

Info

ID:	66239
PubChem CID:	46500482
Reduced:	BrO2N3H20C23 (1)
Stoich.:	AB2C3D20E23 (1)
Weight, g/mol:	463.08954
ΔH_f, kcal/mol:	1.43
Dipole, Da:	7.44
IP(EA), eV:	-8.79(-0.86)
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]-1-methylindol-2-one

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)CN2C=C(C3=C2C=CC(=C3)Br)/C=C/4\C5=CC=CC=C5NC4=O

DOS

IR

Vibrations