Geometry & MOs

Info

ID:	2045
PubChem CID:	5655
Reduced:	BrON2H15C17 (1)
Stoich.:	ABC2D15E17 (1)
Weight, g/mol:	342.03678
ΔH_f, kcal/mol:	5.64
Dipole, Da:	2.16
IP(EA), eV:	-8.3(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C=C(N2)C=C3C4=C(C=CC(=C4)Br)NC3=O

DOS

IR

Vibrations