Geometry & MOs

Info

ID:

324689

PubChem CID:

126678137

Reduced:

ON2H26C46 (1)

Stoich.:

AB2C26D46 (1)

Weight, g/mol:

626.210661

ΔHf, kcal/mol:

293.74

Dipole, Da:

1.48

IP(EA), eV:

 -8.1(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

24-phenyl-15-(4-phenylquinazolin-2-yl)-4-oxa-15,24-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=C(C4=C2C=CC5=C4OC6=CC=CC=C56)C7=C(C=C3)C8=CC=CC=C8N7C9=CC1=C2C(=C9)C=CC=C2C2=CC=CC=C21

DOS

IR

Vibrations