Geometry & MOs

Info

ID:

324541

PubChem CID:

126677864

Reduced:

ON5H15C19 (1)

Stoich.:

AB5C15D19 (1)

Weight, g/mol:

778.273262

ΔHf, kcal/mol:

107.81

Dipole, Da:

0.79

IP(EA), eV:

 -9.16(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

24-(3-phenylphenyl)-15-[4-(4-phenylphenyl)quinazolin-2-yl]-10-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),18,20,22,26-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)C2=CC=CC(=C2)CC3=CC(=NC4=NNN=C34)N

DOS

IR

Vibrations