Geometry & MOs

Info

ID:

139082

PubChem CID:

52469359

Reduced:

F3N3O3C17H20 (1)

Stoich.:

A3B3C3D17E20 (1)

Weight, g/mol:

439.294725

ΔHf, kcal/mol:

-285.53

Dipole, Da:

5.39

IP(EA), eV:

 -9.18(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[[2,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-3-yl]methyl]-2-[(3S)-3-methylpiperidin-1-yl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCNC(=O)[C@H](C)NC(=O)[C@H]1CC(=O)N(C1)C2=CC=CC(=C2)C(F)(F)F

DOS

IR

Vibrations