Geometry & MOs

Info

ID:	36339
PubChem CID:	8001860
Reduced:	N4O4H16C21 (1)
Stoich.:	A4B4C16D21 (1)
Weight, g/mol:	396.108562
ΔH_f, kcal/mol:	-38.09
Dipole, Da:	5.92
IP(EA), eV:	-8.92(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]-5-(trifluoromethyl)pyridin-2-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CN2)C(=O)NNC(=O)C3=CC=CC=C3NC(=O)C4=CC=CO4

DOS

IR

Vibrations