Geometry & MOs

Info

ID:	243932
PubChem CID:	99302880
Reduced:	FNO2C11H15 (2)
Stoich.:	ABC2D11E15 (2)
Weight, g/mol:	421.218841
ΔH_f, kcal/mol:	-271.24
Dipole, Da:	2.9
IP(EA), eV:	-8.8(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[[(2R)-1-ethylpyrrolidin-2-yl]methyl-[(3R)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]propanoate

Drug info:

PubChemData

Smile

CCN1CCC[C@@H]1CN(CCC(=O)OCC)C(=O)CCC(=O)C2=C(C=C(C=C2)F)F

DOS

IR

Vibrations