Geometry & MOs

Info

ID:	326210
PubChem CID:	126687150
Reduced:	ClFO2N8C25H30 (1)
Stoich.:	ABC2D8E25F30 (1)
Weight, g/mol:	353.215493
ΔH_f, kcal/mol:	-69.0
Dipole, Da:	7.19
IP(EA), eV:	-9.28(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-[(3aS,6aR)-5-benzyl-5-fluoro-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]propan-2-yl]phenol

Drug info:

PubChemData

Smile

C1CCN([C@H](C1)CNC2=NC(=NC=C2F)C3=CNC4=C3C=C(C=N4)Cl)C(=O)NCCCN5CCCC5=O

DOS

IR

Vibrations