Geometry & MOs

Info

ID:

297529

PubChem CID:

117620001

Reduced:

OH24C31 (1)

Stoich.:

AB24C31 (1)

Weight, g/mol:

567.2926

ΔHf, kcal/mol:

58.58

Dipole, Da:

3.11

IP(EA), eV:

 -8.21(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-tert-butyl-9-(3,5-dimethylphenyl)-23,23-dimethyl-9-azaoctacyclo[13.13.2.02,10.03,8.012,29.016,24.017,22.026,30]triaconta-1(29),2(10),3(8),4,6,11,13,15(30),16(24),17,19,21,25,27-tetradecaene

Drug info:

PubChemData

Smile

CC1(C2=C(C3=C4C(C2)C=CC5=C6C(CC(=C54)C=C3)OC7=CC=CC=C76)C8=CC=CC=C81)C

DOS

IR

Vibrations