Geometry & MOs

Info

ID:

324999

PubChem CID:

126679150

Reduced:

ON4H30C50 (1)

Stoich.:

AB4C30D50 (1)

Weight, g/mol:

702.241962

ΔHf, kcal/mol:

234.45

Dipole, Da:

3.93

IP(EA), eV:

 -7.86(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

18-phenyl-15-[4-(4-phenylphenyl)quinazolin-2-yl]-12-oxa-15,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC3=CC=CC=C32)C4=CC(=CC=C4)N5C6=CC=CC=C6C7=C5C8=C(C=C7)C9=C(N8C1=CC=CC=C1)C1=C(C=C9)C2=CC=CC=C2O1

DOS

IR

Vibrations