Geometry & MOs

Info

ID:	302838
PubChem CID:	124397350
Reduced:	NOF2C9H9 (1)
Stoich.:	ABC2D9E9 (1)
Weight, g/mol:	125.084064
ΔH_f, kcal/mol:	-88.63
Dipole, Da:	3.39
IP(EA), eV:	-8.31(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,6aR)-2,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-one

Drug info:

PubChemData

Smile

C1[C@@H](C1(F)F)OC2=CC=C(C=C2)N

DOS

IR

Vibrations