Geometry & MOs

Info

ID:

428081

PubChem CID:

135166004

Reduced:

N5H33C53 (1)

Stoich.:

A5B33C53 (1)

Weight, g/mol:

712.262697

ΔHf, kcal/mol:

286.22

Dipole, Da:

3.33

IP(EA), eV:

 -7.82(-1.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-(3-phenylphenyl)-10-(4-phenylquinazolin-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=NC(=NC(=N2)C3=CC(=CC=C3)N4C5=C(C6=CC=CC=C64)C7=C(C=C5)N(C8=C7C9=CC=CC=C9C1=CC=CC=C18)C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations