Geometry & MOs

Info

ID:

325044

PubChem CID:

126679361

Reduced:

ON2H28C50 (1)

Stoich.:

AB2C28D50 (1)

Weight, g/mol:

678.241962

ΔHf, kcal/mol:

208.31

Dipole, Da:

3.37

IP(EA), eV:

 -7.85(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10-(4-cyclohexa-2,4-dien-1-ylquinazolin-2-yl)-15-naphthalen-2-yl-19-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,20,22,24,26-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)N3C4=C(C5=CC=CC=C53)C6=C(C=C4)N(C7=C6C=C8C9=CC=CC=C9OC8=C7)C1=CC2=C(C=C1)C1=CC=CC3=C1C2=CC=C3

DOS

IR

Vibrations