Geometry & MOs

Info

ID:

430335

PubChem CID:

135170399

Reduced:

NH39C41 (2)

Stoich.:

AB39C41 (2)

Weight, g/mol:

504.98638

ΔHf, kcal/mol:

223.45

Dipole, Da:

2.55

IP(EA), eV:

 -7.55(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N,N-bis(4-bromophenyl)aniline

Drug info:

PubChemData

Smile

CCCCCCC1(C2=C(C=CC(=C2)N(C3=CC=CC=C3)C4=CC5=C(C=C4)C(C6=CC=CC=C65)(C)C7=CC8=C(CC8)C=C7)C9=C1C=C(C=C9)N(C1=CC=C(C=C1)C)C1=CC2=C(C=C1)C1=CC=CC=C1C2(C)C1=CC2=C(CC2)C=C1)CCCCCC

DOS

IR

Vibrations