Geometry & MOs

Info

ID:

324989

PubChem CID:

126679089

Reduced:

ON5H39C57 (1)

Stoich.:

AB5C39D57 (1)

Weight, g/mol:

752.257612

ΔHf, kcal/mol:

246.72

Dipole, Da:

4.11

IP(EA), eV:

 -8.02(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-naphthalen-2-yl-4-[4-(4-phenylquinazolin-2-yl)phenyl]-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)C2NC(N=C(N2)C3=CC=CC(=C3)C4=CC(=CC=C4)N5C6=C(C7=CC=CC=C75)C8=C(C=C6)C9=C(N8C1=CC=CC=C1)C=CC1=C9OC2=CC=CC=C12)C1=CC=CC=C1

DOS

IR

Vibrations