Geometry & MOs

Info

ID:

324756

PubChem CID:

126678277

Reduced:

ON2H26C46 (1)

Stoich.:

AB2C26D46 (1)

Weight, g/mol:

702.241962

ΔHf, kcal/mol:

192.57

Dipole, Da:

2.78

IP(EA), eV:

 -7.98(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-phenyl-24-[3-(4-phenylquinazolin-2-yl)phenyl]-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)N2C3=C(C=C4C5=CC=CC=C5OC4=C3)C6=C2C7=C(C=C6)N(C8=CC=CC=C87)C9=CC1=C(C=C9)C2=CC=CC3=C2C1=CC=C3

DOS

IR

Vibrations