Geometry & MOs

Info

ID:	22009
PubChem CID:	594898
Reduced:	NO2C12H13 (1)
Stoich.:	AB2C12D13 (1)
Weight, g/mol:	203.094629
ΔH_f, kcal/mol:	-55.69
Dipole, Da:	6.07
IP(EA), eV:	-9.23(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-tert-butyl-1H-indole-2,3-dione

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC2=C(C=C1)NC(=O)C2=O

DOS

IR

Vibrations