Geometry & MOs

Info

ID:

438560

PubChem CID:

135228303

Reduced:

ClO2N6C20H21 (1)

Stoich.:

AB2C6D20E21 (1)

Weight, g/mol:

474.168335

ΔHf, kcal/mol:

35.7

Dipole, Da:

6.65

IP(EA), eV:

 -8.82(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[16-chloro-3-methyl-5-(pyridin-2-ylmethyl)-2,3,4,10,12-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),5,8,10,14,16-hexaen-9-yl]-5-propan-2-yl-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC(C)OCC1=NN=C2N1CC3C(N=CN3C4=C2C=C(C=C4)Cl)(C)C5=NC=CO5

DOS

IR

Vibrations