Geometry & MOs

Info

ID:

438491

PubChem CID:

135228233

Reduced:

ClO2N7H14C17 (1)

Stoich.:

AB2C7D14E17 (1)

Weight, g/mol:

427.03924

ΔHf, kcal/mol:

89.36

Dipole, Da:

6.15

IP(EA), eV:

 -9.74(-1.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[15-bromo-9-(methoxymethyl)-2,4,8,10,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaen-5-yl]-3-methyl-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=NOC(=N1)C2=C3CN4C(=NN=C4C5=C(N3C=N2)C(=CC=C5)Cl)COC

DOS

IR

Vibrations