Geometry & MOs

Info

ID:	45809
PubChem CID:	10517800
Reduced:	BrO2C13H25 (1)
Stoich.:	AB2C13D25 (1)
Weight, g/mol:	293.102749
ΔH_f, kcal/mol:	-115.28
Dipole, Da:	1.25
IP(EA), eV:	-10.12(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-1-methyl-2-phenyl-3-(trifluoromethyl)-2H-indol-3-ol

Drug info:

PubChemData

Smile

CCCCCCC(C=C)OC(CBr)OCC

DOS

IR

Vibrations