Geometry & MOs

Info

ID:	129007
PubChem CID:	51066164
Reduced:	ClFN6H8C9 (1)
Stoich.:	ABC6D8E9 (1)
Weight, g/mol:	411.04701
ΔH_f, kcal/mol:	68.29
Dipole, Da:	3.19
IP(EA), eV:	-8.95(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3E)-3-[(4-bromophenyl)methylidene]-2-oxocyclohexyl]-3-hydroxy-1H-indol-2-one

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1NN=C2C(=NN=C2N)N)F)Cl

DOS

IR

Vibrations