Geometry & MOs

Info

ID:	219415
PubChem CID:	85148604
Reduced:	O9C27H34 (1)
Stoich.:	A9B27C34 (1)
Weight, g/mol:	504.26029
ΔH_f, kcal/mol:	-355.38
Dipole, Da:	1.23
IP(EA), eV:	-8.92(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-bromo-2,6,6,15-tetramethyl-14-(6-methylheptan-2-yl)pentacyclo[8.7.0.02,7.03,7.011,15]heptadecane-5,9-dione

Drug info:

PubChemData

Smile

CCCCCC(=O)OC1C(C(CC(=CC(=O)OC)C2(COC3=C2C1=CC4=C3OCO4)C(=O)OC)C)C

DOS

IR

Vibrations