Geometry & MOs

Info

ID:	387745
PubChem CID:	134986691
Reduced:	ClO5C12H19 (1)
Stoich.:	AB5C12D19 (1)
Weight, g/mol:	251.055798
ΔH_f, kcal/mol:	-220.78
Dipole, Da:	1.64
IP(EA), eV:	-9.86(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(trifluoromethyl)indeno[2,1-b]pyridin-9-ol

Drug info:

PubChemData

Smile

C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)Cl)OC(=O)C)OC)OCC=C

DOS

IR

Vibrations