Geometry & MOs

Info

ID:

448429

PubChem CID:

135290824

Reduced:

O4N9F12C45H51 (1)

Stoich.:

A4B9C12D45E51 (1)

Weight, g/mol:

332.065173

ΔHf, kcal/mol:

-640.48

Dipole, Da:

7.59

IP(EA), eV:

 -9.3(-1.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5-chloro-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone

Drug info:

PubChemData

Smile

CC(C)([C@@H](C([C@H](CC1=CC=C(C=C1)C2=CN(N=C2)C(F)F)[C@@H](CN(CC3=C(C=C(C=C3F)C4=CN(N=C4)C(F)F)F)NC(=O)[C@H](C(C)(C)C(F)(F)F)NC(=O)C5CC5)O)N)NC(=O)C6CC6)C(F)(F)F

DOS

IR

Vibrations