Geometry & MOs

Info

ID:	241054
PubChem CID:	93621405
Reduced:	N2O3H14C15 (1)
Stoich.:	A2B3C14D15 (1)
Weight, g/mol:	318.13036
ΔH_f, kcal/mol:	-76.47
Dipole, Da:	4.84
IP(EA), eV:	-9.0(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]-2-(2,2,2-trifluoroethoxy)acetamide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC2=C(C=C1)NC(=O)C2)NC(=O)C3=COC=C3

DOS

IR

Vibrations