Geometry & MOs

Info

ID:	326506
PubChem CID:	126687689
Reduced:	NO2S2C12H25 (1)
Stoich.:	AB2C2D12E25 (1)
Weight, g/mol:	319.13594
ΔH_f, kcal/mol:	-145.08
Dipole, Da:	3.37
IP(EA), eV:	-8.6(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4-difluoro-1-[[5-(trifluoromethyl)-2,3-dihydro-1H-inden-4-yl]methyl]piperidine

Drug info:

PubChemData

Smile

CC(C)CCSSCCNC(=O)OC(C)(C)C

DOS

IR

Vibrations