Geometry & MOs

Info

ID:	315807
PubChem CID:	126628860
Reduced:	N5O5C28H35 (1)
Stoich.:	A5B5C28D35 (1)
Weight, g/mol:	297.093185
ΔH_f, kcal/mol:	-125.41
Dipole, Da:	7.79
IP(EA), eV:	-8.77(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-chloro-2-fluorophenyl)methyl (2S,3aR,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole-2-carboxylate

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N2CCC[C@H](N2)C(=O)O[C@@H](C3=CC4=CC(=NC=C4C=C3)/C=C\CC(=O)NC(C(=O)N1)C(C)C)C

DOS

IR

Vibrations