Geometry & MOs

Info

ID:

423958

PubChem CID:

135120879

Reduced:

O6N9C32H43 (1)

Stoich.:

A6B9C32D43 (1)

Weight, g/mol:

387.20591

ΔHf, kcal/mol:

-195.82

Dipole, Da:

5.79

IP(EA), eV:

 -9.18(-0.49)

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-5-ylmethanone

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](C(=O)N(CC(=O)NCCC[C@@H](C(=O)N[C@@H](C(=O)N1)C(C)C)NC(=O)C2=C3N(C=CN3N=C2)C)C)CC4=CC=CC=C4

DOS

IR

Vibrations