Geometry & MOs

Info

ID:	294205
PubChem CID:	117435151
Reduced:	BrO2C12H17 (1)
Stoich.:	AB2C12D17 (1)
Weight, g/mol:	273.061278
ΔH_f, kcal/mol:	-87.38
Dipole, Da:	1.73
IP(EA), eV:	-8.82(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-hydroxy-2-[2-(trifluoromethyl)-1H-indol-5-yl]acetate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1C(C)CO)C)Br)OC

DOS

IR

Vibrations