Geometry & MOs

Info

ID:	23716
PubChem CID:	605514
Reduced:	NOCl3C13H16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	307.029747
ΔH_f, kcal/mol:	-82.29
Dipole, Da:	7.47
IP(EA), eV:	-8.87(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6,6-trimethyl-3-(2,2,2-trichloroethyl)-5,7-dihydro-1H-indol-4-one

Drug info:

PubChemData

Smile

CC1=C(C2=C(N1)CC(CC2=O)(C)C)CC(Cl)(Cl)Cl

DOS

IR

Vibrations