Geometry & MOs

Info

ID:	342942
PubChem CID:	127266105
Reduced:	FN3O3C18H24 (1)
Stoich.:	AB3C3D18E24 (1)
Weight, g/mol:	274.092912
ΔH_f, kcal/mol:	-163.19
Dipole, Da:	4.29
IP(EA), eV:	-9.85(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrazolidin-3-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC12CCN(CC2)C(=O)C3=CN=C(C=C3)F

DOS

IR

Vibrations