Geometry & MOs

Info

ID:

420039

PubChem CID:

135110829

Reduced:

F3N5O5C33H42 (1)

Stoich.:

A3B5C5D33E42 (1)

Weight, g/mol:

334.205656

ΔHf, kcal/mol:

-366.68

Dipole, Da:

3.4

IP(EA), eV:

 -9.39(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@@H](C(=O)NCCCN(CCCC(=O)N[C@H](C(=O)N1)CC2=CC=CC=C2)C(=O)CC3=CC=C(C=C3)C(F)(F)F)C(C)C

DOS

IR

Vibrations