Geometry & MOs

Info

ID:

324794

PubChem CID:

126678359

Reduced:

ON4H34C56 (1)

Stoich.:

AB4C34D56 (1)

Weight, g/mol:

752.257612

ΔHf, kcal/mol:

254.56

Dipole, Da:

3.6

IP(EA), eV:

 -7.97(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-(4-phenylbenzo[h]quinazolin-2-yl)-24-(4-phenylphenyl)-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)C2=CC=C(C=C2)C3=NC(=NC4=CC=CC=C43)N5C6=C(C7=CC=CC=C75)C8=C(C=C6)C9=C(N8C1=CC=C(C=C1)C1=CC=CC=C1)C=CC1=C9OC2=CC=CC=C12

DOS

IR

Vibrations