Geometry & MOs

Info

ID:	326293
PubChem CID:	126687288
Reduced:	ClO2N6C19H25 (1)
Stoich.:	AB2C6D19E25 (1)
Weight, g/mol:	371.206071
ΔH_f, kcal/mol:	-15.05
Dipole, Da:	5.31
IP(EA), eV:	-8.0(-0.66)
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]-2-fluorophenol

Drug info:

PubChemData

Smile

CCC1=C(N/C(=C/2\C=NC3C2=CC(=CN3)Cl)/NC1)N[C@H]4CCN(C4)C(=O)CO

DOS

IR

Vibrations