Geometry & MOs

Info

ID:

378588

PubChem CID:

134224679

Reduced:

NOH13C22 (1)

Stoich.:

ABC13D22 (1)

Weight, g/mol:

407.131014

ΔHf, kcal/mol:

68.13

Dipole, Da:

1.81

IP(EA), eV:

 -8.27(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

16-oxa-30-azaoctacyclo[15.15.0.02,15.05,14.08,13.019,31.020,29.021,26]dotriaconta-1(32),2(15),3,5(14),6,8,10,12,17,19(31),20(29),21,23,25,27-pentadecaene

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC3=C2OC4=CC5=C(C=C34)NC6=CC=CC=C65

DOS

IR

Vibrations