Geometry & MOs

Info

ID:	149832
PubChem CID:	53789510
Reduced:	O4C25H32 (1)
Stoich.:	A4B25C32 (1)
Weight, g/mol:	396.23006
ΔH_f, kcal/mol:	-144.82
Dipole, Da:	7.05
IP(EA), eV:	-9.61(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(1R,4S)-3-(4-methyl-3-oxo-4-phenylpentylidene)-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid

Drug info:

PubChemData

Smile

CC(C)(C1=CC=CC=C1)C(=O)CC=C2[C@@H]3CC[C@H]([C@@H]2CC=CCCCC(=O)O)O3

DOS

IR

Vibrations