Geometry & MOs

Info

ID:	307675
PubChem CID:	125308009
Reduced:	ClO12C32H37 (1)
Stoich.:	AB12C32D37 (1)
Weight, g/mol:	229.035063
ΔH_f, kcal/mol:	-495.9
Dipole, Da:	1.62
IP(EA), eV:	-8.99(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-6-(trifluoromethoxy)-3H-indole-3-carbaldehyde

Drug info:

PubChemData

Smile

CC(=O)OC[C@@H]1[C@@H]([C@H]([C@@H]([C@](O1)(C2=CC(=C(C=C2)Cl)CC3=CC=C(C=C3)O[C@@H]4CCOC4)OC)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations