Geometry & MOs

Info

ID:	242652
PubChem CID:	97857755
Reduced:	N2F3O3C14H23 (1)
Stoich.:	A2B3C3D14E23 (1)
Weight, g/mol:	324.166077
ΔH_f, kcal/mol:	-339.96
Dipole, Da:	4.4
IP(EA), eV:	-9.91(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(3S,6S)-1-propanoyl-6-(trifluoromethyl)piperidin-3-yl]carbamate

Drug info:

PubChemData

Smile

CCC(=O)N1C[C@H](CC[C@@H]1C(F)(F)F)NC(=O)OC(C)(C)C

DOS

IR

Vibrations