Geometry & MOs

Info

ID:	315804
PubChem CID:	126628851
Reduced:	ClNC8H14 (1)
Stoich.:	ABC8D14 (1)
Weight, g/mol:	347.128134
ΔH_f, kcal/mol:	-10.04
Dipole, Da:	2.87
IP(EA), eV:	-10.04(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S,4R)-1-[2-(3-acetylindazol-1-yl)acetyl]-4-fluoropyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

CC/C=C(/C=N)\C(C)(C)Cl

DOS

IR

Vibrations