Geometry & MOs

Info

ID:

319502

PubChem CID:

126656403

Reduced:

ON2H40C58 (1)

Stoich.:

AB2C40D58 (1)

Weight, g/mol:

818.329714

ΔHf, kcal/mol:

227.53

Dipole, Da:

2.22

IP(EA), eV:

 -7.96(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(9,9-dimethylfluoren-2-yl)-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

C1C=CC=CC1C2=CC=C(C=C2)N(C3=CC=C(C=C3)C4=CC=CC=C4)C5=C6C(=C7C(=C5)C8=CC=CC=C8O7)C9=C(N6C1=CC=C(C=C1)C1=CC=CC=C1)C1=CC=CC=C1C=C9

DOS

IR

Vibrations