Geometry & MOs

Info

ID:

441987

PubChem CID:

135247403

Reduced:

ON3H31C47 (1)

Stoich.:

AB3C31D47 (1)

Weight, g/mol:

742.309647

ΔHf, kcal/mol:

198.38

Dipole, Da:

4.26

IP(EA), eV:

 -8.65(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

16-[4-[10-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenanthren-9-yl]phenyl]-18-methyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,14,16-octaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(N=C(N2)C3=CC=CC=C3)C4=C(C=CC5=CC=CC=C54)C6=CC=C(C=C6)C7=CC8=C(C=C7)C9=CC1=CC=CC=C1C=C9O8

DOS

IR

Vibrations