Geometry & MOs

Info

ID:

313146

PubChem CID:

126612244

Reduced:

ON3H27C42 (1)

Stoich.:

AB3C27D42 (1)

Weight, g/mol:

519.256215

ΔHf, kcal/mol:

170.11

Dipole, Da:

1.95

IP(EA), eV:

 -7.9(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5,5,13,19,27,27-hexamethyl-2-phenyl-16-oxa-2-azaheptacyclo[15.11.0.03,15.04,12.06,11.020,28.021,26]octacosa-1(17),3(15),4(12),6,8,10,13,18,20(28),21,23,25-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=CC(=C3)N4C5=CC=CC=C5C6=CC=CC=C64)OC7=C2C=C(C=C7)N8C9=CC=CC=C9C1=CC=CC=C18

DOS

IR

Vibrations