Geometry & MOs

Info

ID:

323293

PubChem CID:

126674032

Reduced:

NH63C65 (1)

Stoich.:

AB63C65 (1)

Weight, g/mol:

1104.632151

ΔHf, kcal/mol:

115.08

Dipole, Da:

3.31

IP(EA), eV:

-7.7(-0.42)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

7,7,28,28,42-pentamethyl-10-naphthalen-1-yl-21,21-dioctyl-31,42-diphenyl-15,36-diazaundecacyclo[22.18.0.03,22.04,20.06,18.08,17.011,16.025,41.027,39.029,38.032,37]dotetraconta-1(24),2,4,6(18),8(17),9,11(16),12,14,19,22,25,27(39),29(38),30,32(37),33,35,40-nonadecaene

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(C2=CC3=C(C=C2)C4=C(C3(C)C)C=C(C=C4)/C=C/C5=CC6=C(C=C5)C7=C(C6(C)C)C=C(C=C7)N(C8=C(C=C(C=C8)C)C)C9=C(C=C(C=C9)C)C)C1=C(C=C(C=C1)C)C)C

DOS

IR

Vibrations