Geometry & MOs

Info

ID:

419803

PubChem CID:

135109109

Reduced:

ClO4N7C30H36 (1)

Stoich.:

AB4C7D30E36 (1)

Weight, g/mol:

396.227374

ΔHf, kcal/mol:

-7.06

Dipole, Da:

13.36

IP(EA), eV:

 -7.74(-1.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[2-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-2-oxoethyl]-2,6-dimethyl-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CC(C)[C@@H]1C(=O)NCCN2C=CN=C2C3=CC(=C(C=C3)OC)OCCN(CC(=O)N1)CC4=NN(C5=C4C(=CC=C5)Cl)C

DOS

IR

Vibrations