Geometry & MOs

Info

ID:

324710

PubChem CID:

126678186

Reduced:

ON2H26C44 (1)

Stoich.:

AB2C26D44 (1)

Weight, g/mol:

702.241962

ΔHf, kcal/mol:

173.69

Dipole, Da:

1.99

IP(EA), eV:

 -8.07(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-phenyl-15-[4-(4-phenylquinazolin-2-yl)phenyl]-24-oxa-4,15-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=CC=CC=C3C4=C2C5=C(C=C4)N(C6=C5C=CC7=C6C8=CC=CC=C8O7)C9=CC1=CC=CC=C1C1=CC=CC=C19

DOS

IR

Vibrations