Geometry & MOs

Info

ID:

415508

PubChem CID:

135088504

Reduced:

O3N4C17H19 (2)

Stoich.:

A3B4C17D19 (2)

Weight, g/mol:

318.205576

ΔHf, kcal/mol:

-139.37

Dipole, Da:

6.57

IP(EA), eV:

 -8.6(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(4aS,8aS)-4a-(hydroxymethyl)-1-methyl-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-7-yl]-(2-ethylpyrimidin-5-yl)methanone

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N[C@@H](CN(CC(=O)N[C@@H](C(=O)N2C[C@@H](C[C@H]2C(=O)N1)O)CC3=CNC4=CC=CC=C43)C(=O)C5=CC=NN5C)C6=CC=CC=C6

DOS

IR

Vibrations