Geometry & MOs

Info

ID:	31130
PubChem CID:	854706
Reduced:	O4C17H18 (1)
Stoich.:	A4B17C18 (1)
Weight, g/mol:	286.120509
ΔH_f, kcal/mol:	-144.85
Dipole, Da:	8.12
IP(EA), eV:	-9.18(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-7-[(1R)-2-oxocyclohexyl]oxychromen-2-one

Drug info:

PubChemData

Smile

CCC1=CC(=O)OC2=C1C=CC(=C2)O[C@H]3CCCCC3=O

DOS

IR

Vibrations