Geometry & MOs

Info

ID:

324805

PubChem CID:

126678378

Reduced:

ON2H13C23 (2)

Stoich.:

AB2C13D23 (2)

Weight, g/mol:

426.173213

ΔHf, kcal/mol:

196.6

Dipole, Da:

1.33

IP(EA), eV:

 -8.06(-1.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-cyclohexa-1,3-dien-1-yl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5(10),8,12,17,20,22,24,26-undecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC3=C2OC4=CC=CC=C43)N5C6=C(C7=CC=CC=C75)C8=C(C=C6)C9=C(N8C1=CC=CC=C1)C=CC1=C9OC2=CC=CC=C12

DOS

IR

Vibrations