Geometry & MOs

Info

ID:

313147

PubChem CID:

126612249

Reduced:

NOH33C38 (1)

Stoich.:

ABC33D38 (1)

Weight, g/mol:

755.412715

ΔHf, kcal/mol:

66.89

Dipole, Da:

0.32

IP(EA), eV:

 -8.26(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9,23-bis(4-tert-butylphenyl)-12,12,20,20-tetramethyl-2-phenyl-16-oxa-2-azaheptacyclo[15.11.0.03,15.05,13.06,11.019,27.021,26]octacosa-1(17),3(15),4,6(11),7,9,13,18,21(26),22,24,27-dodecaene

Drug info:

PubChemData

Smile

CC1=CC2=C(C3=C1C4=CC=CC=C4C3(C)C)N(C5=C(O2)C=C(C6=C5C(C7=CC=CC=C76)(C)C)C)C8=CC=CC=C8

DOS

IR

Vibrations