Geometry & MOs

Info

ID:

436004

PubChem CID:

135193307

Reduced:

NH31C40 (1)

Stoich.:

AB31C40 (1)

Weight, g/mol:

842.340947

ΔHf, kcal/mol:

142.91

Dipole, Da:

0.86

IP(EA), eV:

 -7.96(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14-[4-[6-(9,9-diphenylfluoren-4-yl)-5-methyl-4-phenylpyridin-2-yl]phenyl]-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C(C=C3)NC4=CC5=C(C=C4)C(C6=CC=CC=C65)(C7=CC=CC=C7)C8=CC=CC=C8)C

DOS

IR

Vibrations