Geometry & MOs

Info

ID:

324548

PubChem CID:

126677880

Reduced:

ON2H28C50 (1)

Stoich.:

AB2C28D50 (1)

Weight, g/mol:

752.257612

ΔHf, kcal/mol:

218.72

Dipole, Da:

1.75

IP(EA), eV:

 -7.96(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-naphthalen-1-yl-10-[4-(4-phenylquinazolin-2-yl)phenyl]-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(=C1)C=CC=C2N3C4=C(C=CC5=C4N(C6=CC=CC=C56)C7=CC8=C9C(=C7)C=CC=C9C1=CC=CC=C18)C1=C3C2=C(C=C1)C1=CC=CC=C1O2

DOS

IR

Vibrations