Geometry & MOs

Info

ID:	168734
PubChem CID:	75011966
Reduced:	O6C19H22 (1)
Stoich.:	A6B19C22 (1)
Weight, g/mol:	348.157288
ΔH_f, kcal/mol:	-196.91
Dipole, Da:	4.76
IP(EA), eV:	-10.06(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-hydroxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradec-2-en-9-yl) 2-methylprop-2-enoate

Drug info:

PubChemData

Smile

CC1=CC2C(C(C(C(=CCC1)C=O)OC(=O)C(=C)C)O)C(=C)C(=O)O2

DOS

IR

Vibrations