Geometry & MOs

Info

ID:	296923
PubChem CID:	117601230
Reduced:	O3N5H19C20 (1)
Stoich.:	A3B5C19D20 (1)
Weight, g/mol:	277.071448
ΔH_f, kcal/mol:	-11.54
Dipole, Da:	7.35
IP(EA), eV:	-9.1(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-phenyl-6-(trifluoromethyl)-3H-indol-2-one

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C#N)C2=CNN(C2=O)C3=NC=C(C=C3)C(=O)NCCCO

DOS

IR

Vibrations