Geometry & MOs

Info

ID:

313958

PubChem CID:

126619183

Reduced:

ClN3O3C27H30 (1)

Stoich.:

AB3C3D27E30 (1)

Weight, g/mol:

631.191718

ΔHf, kcal/mol:

-76.22

Dipole, Da:

2.98

IP(EA), eV:

 -8.78(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[2-[2-fluoro-4-[[2-methyl-3-(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=C(C=C4)Cl

DOS

IR

Vibrations