Geometry & MOs

Info

ID:

324726

PubChem CID:

126678223

Reduced:

ON4H30C50 (1)

Stoich.:

AB4C30D50 (1)

Weight, g/mol:

704.257612

ΔHf, kcal/mol:

231.67

Dipole, Da:

4.82

IP(EA), eV:

 -8.03(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

24-(4-phenylcyclohexa-1,3-dien-1-yl)-15-(4-phenylquinazolin-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=C(C=C1)C2=CC=C(C=C2)N3C4=C(C5=C3C6=C(C=C5)N(C7=CC=CC=C76)C8=NC9=CC=CC=C9C(=N8)C1=CC=CC=C1)C1=C(C=C4)OC2=CC=CC=C21

DOS

IR

Vibrations