Geometry & MOs

Info

ID:

418055

PubChem CID:

135103441

Reduced:

ClFN4O6C34H34 (1)

Stoich.:

ABC4D6E34F34 (1)

Weight, g/mol:

367.189592

ΔHf, kcal/mol:

-211.32

Dipole, Da:

8.05

IP(EA), eV:

 -8.98(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-[(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methyl]phenoxy]acetic acid

Drug info:

PubChemData

Smile

C1CCN(CCCN([C@H]2C[C@@H](C(=O)NC1)N(C2)C(=O)C3=C(C=CC=C3Cl)F)C(=O)C4=CC=CC=C4)C(=O)C5=CC6=C(C=C5)OCO6

DOS

IR

Vibrations