Geometry & MOs

Info

ID:

324495

PubChem CID:

126677763

Reduced:

O3N4C26H28 (1)

Stoich.:

A3B4C26D28 (1)

Weight, g/mol:

752.257612

ΔHf, kcal/mol:

-37.04

Dipole, Da:

3.88

IP(EA), eV:

 -8.37(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-naphthalen-1-yl-24-[3-(4-phenylquinazolin-2-yl)phenyl]-4-oxa-15,24-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

CC1=CC=C(N1C2=NC(=C(C=C2)C(C3=NC(=CC=C3)OC)OC(=O)C)N4C(=CC=C4C)C)C

DOS

IR

Vibrations