Geometry & MOs

Info

ID:	314814
PubChem CID:	126623402
Reduced:	O3N6H26C29 (1)
Stoich.:	A3B6C26D29 (1)
Weight, g/mol:	263.116901
ΔH_f, kcal/mol:	47.78
Dipole, Da:	11.51
IP(EA), eV:	-8.61(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-4-(hydroxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)NC(=O)C2CCN2C(=O)CN3C=C(C4=C3C=CC(=C4)C#CC5=CN=C(N=C5)C)C(=O)C

DOS

IR

Vibrations