Geometry & MOs

Info

ID:	426037
PubChem CID:	135135274
Reduced:	F3O3N4H25C27 (1)
Stoich.:	A3B3C4D25E27 (1)
Weight, g/mol:	311.134443
ΔH_f, kcal/mol:	-202.09
Dipole, Da:	6.38
IP(EA), eV:	-8.45(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-O-tert-butyl 3-O-methyl 5-(trifluoromethyl)piperidine-1,3-dicarboxylate

Drug info:

PubChemData

Smile

C1CN(C[C@@H]([C@@H]1NC(=O)C2=CC=CC=C2OC(F)(F)F)C3=CC=CC=C3)C(=O)C4=CC5=C(C=C4)NCN5

DOS

IR

Vibrations