Geometry & MOs

Info

ID:

314485

PubChem CID:

126621905

Reduced:

ON2H38C58 (1)

Stoich.:

AB2C38D58 (1)

Weight, g/mol:

1034.398462

ΔHf, kcal/mol:

223.39

Dipole, Da:

2.14

IP(EA), eV:

 -7.98(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-N,3-N-diphenyl-3-N-(9-phenylcarbazol-3-yl)-5-(22-phenyl-9-oxa-22-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaen-18-yl)-1-N-(4-phenylphenyl)benzene-1,3-diamine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)N(C3=CC=CC=C3)C4=CC=C(C=C4)C5=CC(=CC=C5)C6=CC7=C(C=C6)N(C8=C7C=C9C=CC1=C(C9=C8)C2=CC=CC=C2O1)C1=CC=CC=C1

DOS

IR

Vibrations