Geometry & MOs

Info

ID:	385899
PubChem CID:	134980268
Reduced:	H20C23 (1)
Stoich.:	A20B23 (1)
Weight, g/mol:	268.14633
ΔH_f, kcal/mol:	83.46
Dipole, Da:	0.4
IP(EA), eV:	-8.92(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,2R,8R,9R)-3-pentacyclo[7.6.1.02,7.02,8.010,15]hexadeca-10,12,14-trienyl] acetate

Drug info:

PubChemData

Smile

C[C@]12[C@@H]([C@]1(CC3=CC=CC=C23)C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations