Geometry & MOs

Info

ID:	317539
PubChem CID:	126643185
Reduced:	O3N5H15C18 (1)
Stoich.:	A3B5C15D18 (1)
Weight, g/mol:	254.099747
ΔH_f, kcal/mol:	4.81
Dipole, Da:	5.3
IP(EA), eV:	-9.46(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4R)-4-fluoro-N-(2-fluoro-3-methylbut-2-enyl)pyrrolidine-2-carboxamide;hydrochloride

Drug info:

PubChemData

Smile

CC1=NN2C=C(C=CC2=N1)C3=CC4=C(C=C3)N(N=C4C(=O)C)CC(=O)O

DOS

IR

Vibrations