Geometry & MOs

Info

ID:	326283
PubChem CID:	126687274
Reduced:	FON6C18H21 (1)
Stoich.:	ABC6D18E21 (1)
Weight, g/mol:	411.184586
ΔH_f, kcal/mol:	-12.19
Dipole, Da:	0.87
IP(EA), eV:	-8.74(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-[(3aR,6aS)-5-benzyl-5-hydroxy-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]acetyl]-2-fluorophenoxy]acetaldehyde

Drug info:

PubChemData

Smile

CC(=O)N1CC[C@@H](C1)CNC2=C(CN=C(N2)C3=CNC4=C3C=CC=N4)F

DOS

IR

Vibrations