Geometry & MOs

Info

ID:

420485

PubChem CID:

135113403

Reduced:

O5N7C37H49 (1)

Stoich.:

A5B7C37D49 (1)

Weight, g/mol:

371.180919

ΔHf, kcal/mol:

-174.78

Dipole, Da:

7.03

IP(EA), eV:

 -9.34(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(3,4-difluorophenyl)-1-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)propan-1-one

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)NCCCCN(CC2=CC=C(C=C2)C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CC(C)C)CC3=CC=CC=C3)C(=O)CCCC4=CNN=C4

DOS

IR

Vibrations