Geometry & MOs

Info

ID:

314484

PubChem CID:

126621904

Reduced:

NOH13C22 (1)

Stoich.:

ABC13D22 (1)

Weight, g/mol:

778.298414

ΔHf, kcal/mol:

67.75

Dipole, Da:

2.2

IP(EA), eV:

 -8.2(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N,4-diphenyl-N-[4-[3-(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)phenyl]phenyl]aniline

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(N2)C=C4C(=C3)C=CC5=C4C6=CC=CC=C6O5

DOS

IR

Vibrations