Geometry & MOs

Info

ID:

379103

PubChem CID:

134352375

Reduced:

N3H39C61 (1)

Stoich.:

A3B39C61 (1)

Weight, g/mol:

648.256549

ΔHf, kcal/mol:

273.18

Dipole, Da:

1.39

IP(EA), eV:

 -8.14(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-methyl-1-N,6-N-dinaphthalen-1-yl-1-N,6-N-diphenylpyrene-1,6-diamine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(C3=CC=CC=C32)C4=CC5=C(C=C4)C6=CC=CC=C6N5C7=CC=C(C=C7)C8=CC=C(C=C8)N9C1=CC=CC=C1C1=C9C=C(C=C1)N1C2=CC=CC=C2C2=CC=CC=C21

DOS

IR

Vibrations