Geometry & MOs

Info

ID:

324659

PubChem CID:

126678079

Reduced:

ON2H30C52 (1)

Stoich.:

AB2C30D52 (1)

Weight, g/mol:

702.241962

ΔHf, kcal/mol:

218.55

Dipole, Da:

3.15

IP(EA), eV:

 -7.96(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-phenyl-24-[4-(4-phenylquinazolin-2-yl)phenyl]-6-oxa-15,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)N3C4=C(C=CC5=C4C6=CC=CC=C6N5C7=CC8=C(C=C7)C9=CC=CC1=C9C8=CC=C1)C1=C3C2=C(C=C1)OC1=CC=CC=C12

DOS

IR

Vibrations