Geometry & MOs

Info

ID:	31129
PubChem CID:	854704
Reduced:	O3H14C15 (1)
Stoich.:	A3B14C15 (1)
Weight, g/mol:	286.120509
ΔH_f, kcal/mol:	-84.52
Dipole, Da:	7.65
IP(EA), eV:	-9.1(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC1=CC(=O)OC2=C1C=C3C(=COC3=C2)C

DOS

IR

Vibrations