Geometry & MOs

Info

ID:	326532
PubChem CID:	126687728
Reduced:	N2F3O5C28H31 (1)
Stoich.:	A2B3C5D28E31 (1)
Weight, g/mol:	312.144948
ΔH_f, kcal/mol:	-337.61
Dipole, Da:	6.22
IP(EA), eV:	-8.96(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(=O)N1CCN(CC1)CC2=C(C=CC3=C2CCC3OC4=CC5=C(C=C4)C(CO5)CC(=O)O)C(F)(F)F

DOS

IR

Vibrations