Geometry & MOs

Info

ID:	435317
PubChem CID:	135191180
Reduced:	NO2F3C10H14 (1)
Stoich.:	AB2C3D10E14 (1)
Weight, g/mol:	333.160103
ΔH_f, kcal/mol:	-260.43
Dipole, Da:	5.65
IP(EA), eV:	-9.99(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3aR)-5-[(6-fluoro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-2-hydroxyethanone

Drug info:

PubChemData

Smile

C1CC2CN(CC2C1)C(=O)C(C(F)(F)F)O

DOS

IR

Vibrations