Geometry & MOs

Info

ID:	81605
PubChem CID:	49854914
Reduced:	FON2C19H21 (1)
Stoich.:	ABC2D19E21 (1)
Weight, g/mol:	348.144948
ΔH_f, kcal/mol:	-50.98
Dipole, Da:	3.87
IP(EA), eV:	-8.03(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-(dimethylamino)phenyl]methyl]-3-methyl-6-(trifluoromethyl)-1H-indol-2-one

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)CCCC2(C3=CC=CC=C3NC2=O)F

DOS

IR

Vibrations