Geometry & MOs

Info

ID:	297088
PubChem CID:	117608326
Reduced:	ClN2O3H15C20 (1)
Stoich.:	AB2C3D15E20 (1)
Weight, g/mol:	426.06914
ΔH_f, kcal/mol:	-39.25
Dipole, Da:	6.12
IP(EA), eV:	-8.7(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-[3-[2-(dimethylamino)ethoxyamino]-1H-indol-2-yl]indol-2-one

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)NC2=NC(=CO2)C3=CC4=C(C(=CC=C4)Cl)OC3=O)C

DOS

IR

Vibrations