Geometry & MOs

Info

ID:

324742

PubChem CID:

126678255

Reduced:

ON4H30C50 (1)

Stoich.:

AB4C30D50 (1)

Weight, g/mol:

676.226312

ΔHf, kcal/mol:

231.08

Dipole, Da:

5.07

IP(EA), eV:

 -8.06(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-naphthalen-1-yl-4-(4-phenylquinazolin-2-yl)-24-oxa-4,15-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC(=NC4=CC=CC=C43)N5C6=C(C7=CC=CC=C75)C8=C(C=C6)C9=C(N8C1=CC=CC=C1)C=CC1=C9C2=CC=CC=C2O1

DOS

IR

Vibrations