Geometry & MOs

Info

ID:

312355

PubChem CID:

126604402

Reduced:

N3H55C60 (1)

Stoich.:

A3B55C60 (1)

Weight, g/mol:

770.366099

ΔHf, kcal/mol:

194.55

Dipole, Da:

0.76

IP(EA), eV:

 -7.43(-0.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-N-[4-(1,2-diphenylethenyl)phenyl]-4-N-[4-(1,2-diphenylethyl)phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine

Drug info:

PubChemData

Smile

C[C@@H]1CC(=CC(=C1)C)N(C2=CC=CC=C2)C3=CC=C(C=C3)N(C4=CC=C(C=C4)C[C@@H](C5=CC=CC=C5)C6=CC=CC(=C6)C)C7=CC=C(C=C7)N(C8=CC=CC=C8)C9=CC=CC(=C9)C

DOS

IR

Vibrations