Geometry & MOs

Info

ID:

378532

PubChem CID:

134224621

Reduced:

NH43C60 (1)

Stoich.:

AB43C60 (1)

Weight, g/mol:

889.370851

ΔHf, kcal/mol:

242.26

Dipole, Da:

0.45

IP(EA), eV:

 -7.8(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

12-[4-[4-[(Z)-2-(2,4-diphenylphenyl)-3-(4-naphthalen-1-ylphenyl)prop-2-enyl]phenyl]phenyl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C3C=C(C=CC3=C(C4=C2C=CC(=C4)CC(C5=CC=CC=C5)C6=CC=CC7=CC=CC=C76)C8=CC=CC=C8)N(C9=CC=CC=C9)C1=CC=CC2=CC=CC=C21

DOS

IR

Vibrations