Geometry & MOs

Info

ID:	425910
PubChem CID:	135130650
Reduced:	ON4H24C41 (1)
Stoich.:	AB4C24D41 (1)
Weight, g/mol:	480.11609
ΔH_f, kcal/mol:	231.18
Dipole, Da:	1.32
IP(EA), eV:	-8.11(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-[3-[2-(2-methylpiperidin-4-yl)ethoxyamino]-1H-indol-2-yl]indol-2-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=CC=C2)C3=NC(=NC(=N3)C4=CC=CC=C4)N5C6=C7C(=CC=C6)OC8=CC=CC9=C8C1=C(C=C9)C=CC5=C17

DOS

IR

Vibrations