Geometry & MOs

Info

ID:	243653
PubChem CID:	99233655
Reduced:	F3N3O4C18H28 (1)
Stoich.:	A3B3C4D18E28 (1)
Weight, g/mol:	407.203191
ΔH_f, kcal/mol:	-379.39
Dipole, Da:	8.55
IP(EA), eV:	-9.75(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[(3R)-1-[(3S)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]piperidin-3-yl]methyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC[C@@H]1CCCN(C1)C(=O)[C@H]2CC(=O)N(C2)CC(F)(F)F

DOS

IR

Vibrations