Geometry & MOs

Info

ID:	362992
PubChem CID:	127310013
Reduced:	F3N3O3C13H14 (1)
Stoich.:	A3B3C3D13E14 (1)
Weight, g/mol:	346.150427
ΔH_f, kcal/mol:	-264.22
Dipole, Da:	4.87
IP(EA), eV:	-9.32(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-oxo-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]bicyclo[3.3.1]nonane-3-carboxamide

Drug info:

PubChemData

Smile

CN1C=CC(=CC1=O)C(=O)NC2CCN(C2=O)CC(F)(F)F

DOS

IR

Vibrations