Geometry & MOs

Info

ID:	66502
PubChem CID:	46504696
Reduced:	BrNOH16C18 (1)
Stoich.:	ABCD16E18 (1)
Weight, g/mol:	332.9556
ΔH_f, kcal/mol:	12.02
Dipole, Da:	0.52
IP(EA), eV:	-8.96(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations