Geometry & MOs

Info

ID:

438486

PubChem CID:

135228228

Reduced:

ClO2N6H17C18 (1)

Stoich.:

AB2C6D17E18 (1)

Weight, g/mol:

383.08975

ΔHf, kcal/mol:

75.68

Dipole, Da:

2.98

IP(EA), eV:

 -9.32(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[16-chloro-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(=C1)C2=C3CN(C(=N)C4=C(N3C=N2)C=CC(=C4)Cl)C(=N)COC

DOS

IR

Vibrations