Geometry & MOs

Info

ID:

324646

PubChem CID:

126678049

Reduced:

NOH14C24 (2)

Stoich.:

ABC14D24 (2)

Weight, g/mol:

702.241962

ΔHf, kcal/mol:

164.18

Dipole, Da:

2.5

IP(EA), eV:

 -7.94(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-phenyl-24-[4-(4-phenylphenyl)quinazolin-2-yl]-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)N2C3=C(C4=C2C5=C(C=C4)N(C6=CC=CC=C65)C7=CC=C(C=C7)C8=CC=CC9=C8OC1=CC=CC=C91)C1=C(C=C3)C2=CC=CC=C2O1

DOS

IR

Vibrations