Geometry & MOs

Info

ID:

297703

PubChem CID:

117626368

Reduced:

ClFIO3N7C33H34 (1)

Stoich.:

ABCD3E7F33G34 (1)

Weight, g/mol:

459.284555

ΔHf, kcal/mol:

-20.11

Dipole, Da:

9.87

IP(EA), eV:

 -8.82(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (2S)-2-[2-amino-5-methyl-7-(4-methyl-4-prop-2-enoxypiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate

Drug info:

PubChemData

Smile

CN(C)C1CCN(CC1)C2=CC=CC3=C2CCN(C3C(=O)NC4=CC=C(C=C4)C(=O)I)C(=O)C5=CN(NN5)C6=C(C(=CC=C6)Cl)F

DOS

IR

Vibrations