Geometry & MOs

Info

ID:

436881

PubChem CID:

135212561

Reduced:

BrON2H19C33 (1)

Stoich.:

ABC2D19E33 (1)

Weight, g/mol:

818.340947

ΔHf, kcal/mol:

130.79

Dipole, Da:

5.52

IP(EA), eV:

 -8.78(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9,9-dimethyl-N-(2-phenylphenyl)-N-[4-(22-phenyl-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16(21),17,19-undecaen-18-yl)phenyl]fluoren-4-amine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(C=CC(=C3)C4=CC=C(C=C4)C5=CC=CC6=C5OC7=CC=CC=C67)N8C2=NC=C8Br

DOS

IR

Vibrations