Geometry & MOs

Info

ID:	371576
PubChem CID:	129984304
Reduced:	BO4C15H21 (1)
Stoich.:	AB4C15D21 (1)
Weight, g/mol:	187.060884
ΔH_f, kcal/mol:	-236.41
Dipole, Da:	4.98
IP(EA), eV:	-9.01(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,5,6-trifluoro-2-methyl-2,3-dihydro-1H-indole

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)OC)C(=O)C

DOS

IR

Vibrations