Geometry & MOs

Info

ID:

326261

PubChem CID:

126687248

Reduced:

ClFO2N6H28C30 (1)

Stoich.:

ABC2D6E28F30 (1)

Weight, g/mol:

435.288577

ΔHf, kcal/mol:

13.43

Dipole, Da:

4.66

IP(EA), eV:

 -8.18(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[1-[(3aR,6aS)-5-benzyl-5-hydroxy-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]propan-2-yl]pyridin-2-yl]-2,2-dimethylpropanamide

Drug info:

PubChemData

Smile

C1C[C@@H](CN(C1)C(=O)C2=CC=CC=C2OC3=CC=CC=C3)CNC4=NC(=NC=C4F)C5=CNC6C5=CC(=CN6)Cl

DOS

IR

Vibrations