Geometry & MOs

Info

ID:	329443
PubChem CID:	126736758
Reduced:	ClFO2N3C22H31 (1)
Stoich.:	ABC2D3E22F31 (1)
Weight, g/mol:	243.147058
ΔH_f, kcal/mol:	-145.51
Dipole, Da:	6.33
IP(EA), eV:	-9.02(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-tert-butyl-3,3-dimethyl-4-oxopiperidin-1-yl) hydrogen carbonate

Drug info:

PubChemData

Smile

CC(C)(C)N(C)C(=O)CN1[C@@H]2CC[C@H]1CC(C2)CNC(=O)C3=CC(=CC(=C3)Cl)F

DOS

IR

Vibrations