Geometry & MOs

Info

ID:

440929

PubChem CID:

135232290

Reduced:

NOH27C44 (1)

Stoich.:

ABC27D44 (1)

Weight, g/mol:

636.231397

ΔHf, kcal/mol:

161.53

Dipole, Da:

2.42

IP(EA), eV:

 -8.0(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

27-phenyl-9-(4-phenylquinazolin-2-yl)-9,27-diazaheptacyclo[15.11.0.02,10.03,8.011,16.020,28.021,26]octacosa-1(17),2(10),3,5,7,11,13,15,18,20(28),21,23,25-tridecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=CC(=C2)N3C4=CC=CC=C4C5=C3C6=CC=CC=C6C7=C5C8=C(C=C7)C9=CC=CC=C9O8)C1=CC=CC=C1

DOS

IR

Vibrations