Geometry & MOs

Info

ID:

324562

PubChem CID:

126677897

Reduced:

ON4H32C54 (1)

Stoich.:

AB4C32D54 (1)

Weight, g/mol:

676.226312

ΔHf, kcal/mol:

243.99

Dipole, Da:

3.94

IP(EA), eV:

 -7.82(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-naphthalen-1-yl-18-(4-phenylquinazolin-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=C(C=C4)N5C6=C(C7=C5C=C8C(=C7)C9=CC=CC=C9O8)C1=C(C=C6)N(C2=CC=CC=C21)C1=CC=CC2=CC=CC=C21

DOS

IR

Vibrations