Geometry & MOs

Info

ID:

313926

PubChem CID:

126619007

Reduced:

F3N3O4H24C25 (1)

Stoich.:

A3B3C4D24E25 (1)

Weight, g/mol:

517.198854

ΔHf, kcal/mol:

-252.37

Dipole, Da:

4.45

IP(EA), eV:

 -8.86(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)OC(F)(F)F)COC2=CC=C(C=C2)C3=NC=C4CN(CCC4=N3)CCC(=O)O

DOS

IR

Vibrations