Geometry & MOs

Info

ID:	399782
PubChem CID:	135042622
Reduced:	N2O3C11H14 (1)
Stoich.:	A2B3C11D14 (1)
Weight, g/mol:	259.082013
ΔH_f, kcal/mol:	-35.01
Dipole, Da:	3.3
IP(EA), eV:	-9.12(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-(hydroxymethyl)-1-methyl-3-(2,2,2-trifluoroethyl)indol-2-one

Drug info:

PubChemData

Smile

CC(C[N+](=O)[O-])C(=O)N(C)C1=CC=CC=C1

DOS

IR

Vibrations