Geometry & MOs

Info

ID:

416561

PubChem CID:

135089682

Reduced:

O7N9C44H59 (1)

Stoich.:

A7B9C44D59 (1)

Weight, g/mol:

395.243359

ΔHf, kcal/mol:

-246.76

Dipole, Da:

6.84

IP(EA), eV:

 -8.21(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-[2-(propan-2-ylamino)pyrimidin-5-yl]methanone

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](CN(CC(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC2=CC=C(C=C2)OC)CC(C)C)CC3=CNC4=CC=CC=C43)C(=O)C5=NN(C=C5)C(C)C)C(C)C

DOS

IR

Vibrations