Geometry & MOs

Info

ID:

306408

PubChem CID:

125011612

Reduced:

ON3C13H16 (2)

Stoich.:

AB3C13D16 (2)

Weight, g/mol:

437.279075

ΔHf, kcal/mol:

-5.13

Dipole, Da:

7.5

IP(EA), eV:

 -8.35(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[2-[(3S)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-1-[(2R)-2-methylpiperidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=CC=C(C=C2)C(=O)N(C)C[C@]3(CCN(C3)C4=C5C(=NC=C4)C=CC=N5)O

DOS

IR

Vibrations