Geometry & MOs

Info

ID:

164344

PubChem CID:

74383417

Reduced:

ClF3N4O6C26H28 (1)

Stoich.:

AB3C4D6E26F28 (1)

Weight, g/mol:

632.201332

ΔHf, kcal/mol:

-322.75

Dipole, Da:

9.07

IP(EA), eV:

 -8.98(-1.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[4-[4-[3-chloro-2-(trifluoromethyl)phenyl]piperazin-1-yl]butoxy]-4aH-1,8-naphthyridin-2-one;2-hydroxy-2-phenylacetic acid

Drug info:

PubChemData

Smile

C1CN(CCN1CCCCOC2=NC3=NC(=O)C=CC3C=C2)C4=C(C(=CC=C4)Cl)C(F)(F)F.C(C(=O)O)C(=O)O

DOS

IR

Vibrations