Geometry & MOs

Info

ID:

314446

PubChem CID:

126621834

Reduced:

ON2H34C52 (1)

Stoich.:

AB2C34D52 (1)

Weight, g/mol:

793.309313

ΔHf, kcal/mol:

202.3

Dipole, Da:

1.46

IP(EA), eV:

 -7.93(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-N,1-N,3-N,3-N-tetraphenyl-5-(22-phenyl-3-oxa-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-yl)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=CC=C4C5=CC6=C(C=C5)N(C7=C6C=C8C=CC9=C(C8=C7)OC1=CC=CC=C91)C1=CC=CC=C1

DOS

IR

Vibrations