Geometry & MOs

Info

ID:	176598
PubChem CID:	76070374
Reduced:	OC10H10 (3)
Stoich.:	AB10C10 (3)
Weight, g/mol:	286.156895
ΔH_f, kcal/mol:	-70.35
Dipole, Da:	1.78
IP(EA), eV:	-8.39(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(2,4-dimethylphenyl)-3-hydroxyprop-1-enyl]-3-hydroxybicyclo[3.2.0]heptan-6-one

Drug info:

PubChemData

Smile

CCC(=O)OC1CCCCC1C2=CC(=CC=C2)OCC3=C4C=CC=CC4=CC5=CC=CC=C53

DOS

IR

Vibrations