Geometry & MOs

Info

ID:

314403

PubChem CID:

126621754

Reduced:

ON2H24C40 (1)

Stoich.:

AB2C24D40 (1)

Weight, g/mol:

561.184112

ΔHf, kcal/mol:

154.48

Dipole, Da:

1.49

IP(EA), eV:

 -8.06(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

22-(4-naphthalen-1-ylquinazolin-2-yl)-9-oxa-22-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16,18,20-undecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=CC=CC=C3C4=C2C=C(C=C4)N5C6=CC=CC=C6C7=C5C=C8C(=C7)C=CC9=C8C1=CC=CC=C1O9

DOS

IR

Vibrations