Geometry & MOs

Info

ID:

436885

PubChem CID:

135212597

Reduced:

N3H25C36 (1)

Stoich.:

A3B25C36 (1)

Weight, g/mol:

1109.359057

ΔHf, kcal/mol:

162.46

Dipole, Da:

2.55

IP(EA), eV:

 -8.12(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

16-(4-dibenzofuran-2-ylquinazolin-2-yl)-20-[4-[2-(14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17,19,21-undecaen-16-yl)quinolin-4-yl]phenyl]-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17(22),18,20-undecaene

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C(C=C3)C4=CC5=C(C=C4)C6=C(N5)N=C7N6C8=CC=CC=C8C9=CC=CC=C97)C

DOS

IR

Vibrations