Geometry & MOs

Info

ID:

441827

PubChem CID:

135245478

Reduced:

NH17C25 (2)

Stoich.:

AB17C25 (2)

Weight, g/mol:

504.231397

ΔHf, kcal/mol:

220.45

Dipole, Da:

2.93

IP(EA), eV:

 -8.47(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N'-[N-[1-(9-methyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,10,12(19),13,15,17-octaen-4-yl)ethenyl]-C-phenylcarbonimidoyl]benzenecarboximidamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2(C3=C(C4=CC=CC=C4C=C3)C5=CC=CC=C52)C6=CC=C(C=C6)C7=CC=C(C=C7)C8=C(C9=CC=CC=C9C1=CC=CC=C18)C(=N)N

DOS

IR

Vibrations