Geometry & MOs

Info

ID:

324590

PubChem CID:

126677952

Reduced:

ON5H33C45 (1)

Stoich.:

AB5C33D45 (1)

Weight, g/mol:

624.220164

ΔHf, kcal/mol:

185.73

Dipole, Da:

2.36

IP(EA), eV:

 -7.88(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-naphthalen-1-yl-24-(4-phenylphenyl)-4-oxa-15,24-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(NC(N2)N3C4=C(C=C5C(=C4)C6=CC=CC=C6N5C7=CC=CC=C7)C8=C3C=C9C(=C8)C1=CC=CC=C1O9)C1=CC=CC=C1

DOS

IR

Vibrations