Geometry & MOs

Info

ID:

297524

PubChem CID:

117619786

Reduced:

ClO2N4H13C14 (2)

Stoich.:

AB2C4D13E14 (2)

Weight, g/mol:

486.198365

ΔHf, kcal/mol:

-15.54

Dipole, Da:

6.54

IP(EA), eV:

 -8.76(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

23,23-dimethyl-5-phenyl-9-oxaoctacyclo[13.13.2.02,10.03,8.012,29.016,24.017,22.026,30]triaconta-1(29),2(10),3(8),4,6,11,13,15(30),16(24),17,19,21,27-tridecaene

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CN2C3=NC(=NC=C3CN(C2=O)C4=C(C(=CC(=C4Cl)OC)OC)Cl)NC5=CC=CC=C5NC(=O)C=C

DOS

IR

Vibrations