Geometry & MOs

Info

ID:

325025

PubChem CID:

126679298

Reduced:

ON2H28C50 (1)

Stoich.:

AB2C28D50 (1)

Weight, g/mol:

752.257612

ΔHf, kcal/mol:

212.65

Dipole, Da:

1.81

IP(EA), eV:

 -8.1(-1.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

24-naphthalen-1-yl-15-[4-(4-phenylphenyl)quinazolin-2-yl]-10-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),18,20,22,26-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2N3C4=C(C5=C3C6=C(C=C5)OC7=CC=CC=C76)C8=C(C=C4)C9=CC=CC=C9N8C1=C2C=CC=C3C2=C(C=C1)C1=CC=CC=C13

DOS

IR

Vibrations