Geometry & MOs

Info

ID:

421811

PubChem CID:

135116652

Reduced:

N7O7C36H53 (1)

Stoich.:

A7B7C36D53 (1)

Weight, g/mol:

394.24811

ΔHf, kcal/mol:

-327.44

Dipole, Da:

4.57

IP(EA), eV:

 -8.74(-0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-2-[methyl(pyridin-4-ylmethyl)amino]ethanone

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)N2C[C@@H](C[C@H]2C(=O)NCCCC[C@@H](C(=O)N1)NC(=O)CC(C)C)O)CC(C)C)CC3=CNC4=CC=CC=C43

DOS

IR

Vibrations