Geometry & MOs

Info

ID:	427374
PubChem CID:	135157874
Reduced:	O2C17H22 (1)
Stoich.:	A2B17C22 (1)
Weight, g/mol:	484.224974
ΔH_f, kcal/mol:	-86.45
Dipole, Da:	2.43
IP(EA), eV:	-9.28(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl) 9-(2,2-dimethylpropanoyloxy)-4-oxotricyclo[4.2.1.03,7]nonane-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)OC1C2=CC=CC=C2CC13CCC3

DOS

IR

Vibrations