Geometry & MOs

Info

ID:	12437
PubChem CID:	137777
Reduced:	ClNO2H4C8 (1)
Stoich.:	ABC2D4E8 (1)
Weight, g/mol:	180.993056
ΔH_f, kcal/mol:	-7.3
Dipole, Da:	5.06
IP(EA), eV:	-9.42(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-chloroindole-2,3-dione

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)C(=O)N2Cl

DOS

IR

Vibrations