Geometry & MOs

Info

ID:

397595

PubChem CID:

135030438

Reduced:

SH11C19 (2)

Stoich.:

AB11C19 (2)

Weight, g/mol:

609.04898

ΔHf, kcal/mol:

173.82

Dipole, Da:

0.25

IP(EA), eV:

 -8.37(-1.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

13,19-dibromo-16-hexyl-16-azaheptacyclo[15.12.0.02,15.03,12.05,10.020,29.022,27]nonacosa-1(17),2(15),3,5,7,9,11,13,18,20,22,24,26,28-tetradecaene

Drug info:

PubChemData

Smile

C1=CC=C2C=C3C(=CC2=C1)C=C(S3)C4=C5C=CC=CC5=C(C6=CC=CC=C64)C7=CC8=CC9=CC=CC=C9C=C8S7

DOS

IR

Vibrations