Geometry & MOs

Info

ID:

191540

PubChem CID:

78161688

Reduced:

ON6C23H32 (1)

Stoich.:

AB6C23D32 (1)

Weight, g/mol:

586.26229

ΔHf, kcal/mol:

28.79

Dipole, Da:

2.28

IP(EA), eV:

 -8.55(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[7-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-5-methyl-2-(2-trimethylsilylethoxycarbonylamino)pyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(C)NC2=NC(=NC3=C(C=NN32)C(C)C)OC4CCN(CC4)C

DOS

IR

Vibrations