Geometry & MOs

Info

ID:

431508

PubChem CID:

135171589

Reduced:

NH29C50 (1)

Stoich.:

AB29C50 (1)

Weight, g/mol:

1341.460001

ΔHf, kcal/mol:

302.45

Dipole, Da:

2.43

IP(EA), eV:

 -7.96(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

21-[4-[2-(9-azahexacyclo[15.8.0.02,10.03,8.011,16.018,23]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaen-9-yl)-6-fluoranthen-2-ylpyrimidin-4-yl]phenyl]-9-(2-fluoranthen-2-yl-6-phenylpyrimidin-4-yl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.018,23]pentacosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21,24-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC3=C2C4=CC=CC=C4C5=C3C6=CC=CC=C6N5C7=CC=C(C8=CC=CC=C87)C9=CC=CC1=C9C2=CC=CC3=C2C1=CC=C3

DOS

IR

Vibrations