Geometry & MOs

Info

ID:	163443
PubChem CID:	57963405
Reduced:	BrClO2F3N4C30H33 (1)
Stoich.:	ABC2D3E4F30G33 (1)
Weight, g/mol:	283.214744
ΔH_f, kcal/mol:	-199.82
Dipole, Da:	4.22
IP(EA), eV:	-9.14(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2R,6S)-4-oxo-2,6-dipropylpiperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC[C@@H]1C[C@@H](C[C@@H](N1C(=O)OC(C)C)CC2=CC=CC=C2)N(CC3=CC(=CC(=C3)Cl)C(F)(F)F)C4=NC=C(C=N4)Br

DOS

IR

Vibrations