Geometry & MOs

Info

ID:

185161

PubChem CID:

77263494

Reduced:

F3O3N4C29H33 (1)

Stoich.:

A3B3C4D29E33 (1)

Weight, g/mol:

498.249172

ΔHf, kcal/mol:

-180.67

Dipole, Da:

7.38

IP(EA), eV:

 -8.26(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2,6-dimethyl-4-[5-(1,2,4-oxadiazol-5-yl)pyridin-2-yl]piperazin-1-yl]-1-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)ethanone

Drug info:

PubChemData

Smile

CC1CN(CC(N1CC(=O)N2CCC(=CC2)C3=COC=C(O3)C4=CC=CCC4)C)C5=CN=C(C=C5)C(F)(F)F

DOS

IR

Vibrations