Geometry & MOs

Info

ID:

438515

PubChem CID:

135228257

Reduced:

ClO2N6H13C17 (1)

Stoich.:

AB2C6D13E17 (1)

Weight, g/mol:

374.123972

ΔHf, kcal/mol:

69.18

Dipole, Da:

3.55

IP(EA), eV:

 -9.39(-1.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COCC1=NN=C2N1CC3=C(N=CN3C4=C2C=CC=C4Cl)C5=NC=CO5

DOS

IR

Vibrations