Geometry & MOs

Info

ID:

438492

PubChem CID:

135228234

Reduced:

BrO2N7H14C17 (1)

Stoich.:

AB2C7D14E17 (1)

Weight, g/mol:

420.115773

ΔHf, kcal/mol:

100.07

Dipole, Da:

4.07

IP(EA), eV:

 -9.78(-1.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[9-(methoxymethyl)-15-(trifluoromethoxy)-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]-4,5-dihydro-1,3-oxazole

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations