Geometry & MOs

Info

ID:	397925
PubChem CID:	135031005
Reduced:	NO2C7H8 (2)
Stoich.:	AB2C7D8 (2)
Weight, g/mol:	383.116685
ΔH_f, kcal/mol:	-56.75
Dipole, Da:	3.9
IP(EA), eV:	-9.86(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,6-dimethyl-1-(4-methylphenyl)sulfonyl-2-(2,2,2-trifluoroethyl)-2,3-dihydroindole

Drug info:

PubChemData

Smile

CC(C)C1=NC(OC1=O)[C@@H](C[N+](=O)[O-])C2=CC=CC=C2

DOS

IR

Vibrations