Geometry & MOs

Info

ID:

313937

PubChem CID:

126619081

Reduced:

F2N3O3C28H31 (1)

Stoich.:

A2B3C3D28E31 (1)

Weight, g/mol:

617.176068

ΔHf, kcal/mol:

-171.85

Dipole, Da:

4.05

IP(EA), eV:

 -8.85(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[2-[2-fluoro-4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-methylbutanoic acid;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)CCN1CCC2=NC(=NC=C2C1)C3=CC=C(C=C3)OCC4=CC(=CC=C4)C(F)F

DOS

IR

Vibrations