Geometry & MOs

Info

ID:

427498

PubChem CID:

135159355

Reduced:

N2O2H60C61 (1)

Stoich.:

A2B2C60D61 (1)

Weight, g/mol:

602.272199

ΔHf, kcal/mol:

115.46

Dipole, Da:

1.85

IP(EA), eV:

 -7.97(-0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-cyclohepta-1,3,6-trien-1-yl-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]naphthalen-1-amine

Drug info:

PubChemData

Smile

C1CC=C(C=C1)N(C2CCC=CC2)C3CCC(C=C3)C4=CC5=C(C=C4)C6(C7=C(CC(C=C7)C8=CCC(CC8)N(C9CC=CC=C9)C1=CC=CC=C1)OC1=CC=CC=C16)C1=CC=CC=C1O5

DOS

IR

Vibrations