Geometry & MOs

Info

ID:

426193

PubChem CID:

135142361

Reduced:

FN2O2C18H19 (1)

Stoich.:

AB2C2D18E19 (1)

Weight, g/mol:

412.141452

ΔHf, kcal/mol:

-76.45

Dipole, Da:

5.08

IP(EA), eV:

 -8.41(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[15-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]-4-propan-2-yl-4,5-dihydro-1,3-oxazole

Drug info:

PubChemData

Smile

CCNC1=C(C(=C(C=C1)/C=C/C(=O)OCC2=CC=CC=C2)F)N

DOS

IR

Vibrations