Geometry & MOs

Info

ID:

396728

PubChem CID:

135029098

Reduced:

O5H16C18 (1)

Stoich.:

A5B16C18 (1)

Weight, g/mol:

594.422552

ΔHf, kcal/mol:

-172.1

Dipole, Da:

1.54

IP(EA), eV:

 -8.42(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3,3,6,6,12,12,15,15,21,21,24,24-dodecamethyldecacyclo[24.6.1.02,7.08,31.010,30.011,16.017,29.019,28.020,25.027,32]tritriaconta-1(32),2(7),8(31),10(30),11(16),17(29),19(28),20(25),26-nonaene

Drug info:

PubChemData

Smile

CC1(CCC2=C(O1)C=CC3=C2C(=O)C4=C(C=CC(=C4O3)O)O)C

DOS

IR

Vibrations