Geometry & MOs

Info

ID:

314445

PubChem CID:

126621832

Reduced:

ClNH4C8 (2)

Stoich.:

ABC4D8 (2)

Weight, g/mol:

702.267114

ΔHf, kcal/mol:

86.03

Dipole, Da:

4.32

IP(EA), eV:

 -9.22(-1.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-phenyl-2-(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)-N-(4-phenylphenyl)aniline

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=CC=CC=C3C4=C2C(=NC(=N4)Cl)Cl

DOS

IR

Vibrations