Geometry & MOs

Info

ID:

423602

PubChem CID:

135119809

Reduced:

F2N5O5C29H35 (1)

Stoich.:

A2B5C5D29E35 (1)

Weight, g/mol:

417.252861

ΔHf, kcal/mol:

-221.19

Dipole, Da:

5.9

IP(EA), eV:

 -9.04(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]methyl]-5,8-dimethyl-1H-quinolin-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=CC(=C(C(=C4)F)OC)F

DOS

IR

Vibrations