Geometry & MOs

Info

ID:	238705
PubChem CID:	92765108
Reduced:	SO4N5C22H35 (1)
Stoich.:	AB4C5D22E35 (1)
Weight, g/mol:	408.182476
ΔH_f, kcal/mol:	-161.41
Dipole, Da:	5.0
IP(EA), eV:	-8.58(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(1S,3S)-3-(4-fluorophenyl)-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N([C@@H](C2)C(=O)NCCN3CCN(CC3)C)C(=O)C

DOS

IR

Vibrations