Geometry & MOs

Info

ID:

319501

PubChem CID:

126656400

Reduced:

OSN4H30C46 (1)

Stoich.:

ABC4D30E46 (1)

Weight, g/mol:

780.314064

ΔHf, kcal/mol:

208.41

Dipole, Da:

1.72

IP(EA), eV:

 -8.25(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-cyclohexa-2,4-dien-1-ylphenyl)-N,14-bis(4-phenylphenyl)-3-oxa-14-azahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1,4,6,8,10,12,15(24),16,18,20,22-undecaen-12-amine

Drug info:

PubChemData

Smile

CC1CC2=C(C=C1)C3=CC(=C4C(=C3O2)C5=CC=CC=C5N4C6=NC(=NC(=N6)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC1=C(C=C9)SC2=CC=CC=C21

DOS

IR

Vibrations