Geometry & MOs

Info

ID:	66506
PubChem CID:	46504703
Reduced:	BrNO3H14C17 (1)
Stoich.:	ABC3D14E17 (1)
Weight, g/mol:	378.90304
ΔH_f, kcal/mol:	-46.89
Dipole, Da:	2.07
IP(EA), eV:	-8.41(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-5-bromo-3-[(4-bromophenyl)methylidene]-1H-indol-2-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)/C=C\2/C3=C(C=CC(=C3)Br)NC2=O)OC

DOS

IR

Vibrations