Geometry & MOs

Info

ID:

428088

PubChem CID:

135166035

Reduced:

ON5H35C59 (1)

Stoich.:

AB5C35D59 (1)

Weight, g/mol:

712.262697

ΔHf, kcal/mol:

286.72

Dipole, Da:

2.85

IP(EA), eV:

 -8.01(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-phenyl-10-[4-(3-phenylphenyl)quinazolin-2-yl]-10,15-diazaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC(=NC(=N3)N4C5=C(C6=CC=CC=C64)C7=C(C=C5)N(C8=C7C9=CC=CC=C9C1=CC=CC=C18)C1=CC=CC=C1)C1=CC2=C(C=C1)C1=CC=CC=C1O2

DOS

IR

Vibrations