Geometry & MOs

Info

ID:

324725

PubChem CID:

126678220

Reduced:

ON2H30C52 (1)

Stoich.:

AB2C30D52 (1)

Weight, g/mol:

702.241962

ΔHf, kcal/mol:

219.96

Dipole, Da:

2.3

IP(EA), eV:

 -7.98(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-(4-phenylphenyl)-24-(4-phenylquinazolin-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)C2=CC=C(C=C2)N3C4=C(C5=C3C=CC6=C5OC7=CC=CC=C67)C8=C(C=C4)C9=CC=CC=C9N8C1=CC2=C3C(=C1)C=CC=C3C1=CC=CC=C12

DOS

IR

Vibrations