Geometry & MOs

Info

ID:	179826
PubChem CID:	76538148
Reduced:	PN2O6C24H39 (1)
Stoich.:	AB2C6D24E39 (1)
Weight, g/mol:	334.178024
ΔH_f, kcal/mol:	-341.38
Dipole, Da:	5.04
IP(EA), eV:	-9.57(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8-hydroxy-8a-methyl-3,5-dimethylidene-2-oxo-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-6-yl) 2-methylpropanoate

Drug info:

PubChemData

Smile

CCOP(=O)(C=CC(C1=CC=CC=C1)NC(=O)C(CC(C)C)NC(=O)OC(C)(C)C)OCC

DOS

IR

Vibrations