Geometry & MOs

Info

ID:	314769
PubChem CID:	126623036
Reduced:	N3O3H13C18 (1)
Stoich.:	A3B3C13D18 (1)
Weight, g/mol:	268.115397
ΔH_f, kcal/mol:	-7.56
Dipole, Da:	6.39
IP(EA), eV:	-9.46(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4R)-4-fluoro-N-[(2S)-3-fluoro-4-methylpent-3-en-2-yl]pyrrolidine-2-carboxamide;hydrochloride

Drug info:

PubChemData

Smile

CC(=O)C1=NN(C2=C1C=C(C=C2)C3=CC=CC(=C3)C#N)CC(=O)O

DOS

IR

Vibrations