Geometry & MOs

Info

ID:

315478

PubChem CID:

126626948

Reduced:

FN3O3H30C31 (1)

Stoich.:

AB3C3D30E31 (1)

Weight, g/mol:

514.274405

ΔHf, kcal/mol:

-67.44

Dipole, Da:

11.45

IP(EA), eV:

 -8.93(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[5-[4-[1-(4-cyclopropylphenoxy)-7-fluoro-2,3-dihydro-1H-inden-4-yl]-3,5-dimethylphenyl]-1,3-dihydrotetrazol-2-yl]-2-methylpropan-2-ol

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1C2=C3CCC(C3=C(C=C2)F)OC4=CC=C(C=C4)C5C[C@@H]5C(=O)O)C)C6=NN(C(=N6)C)C

DOS

IR

Vibrations