Geometry & MOs

Info

ID:

419356

PubChem CID:

135108024

Reduced:

N5O6C33H39 (1)

Stoich.:

A5B6C33D39 (1)

Weight, g/mol:

387.20591

ΔHf, kcal/mol:

-197.31

Dipole, Da:

4.77

IP(EA), eV:

 -9.35(-0.92)

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]-quinolin-6-ylmethanone

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N2CCC[C@@H]2C(=O)N[C@H](C(=O)N[C@H](CN(CC(=O)N1)C(=O)C3=CC4=CC=CC=C4O3)CC5=CC=CC=C5)C(C)C

DOS

IR

Vibrations