Geometry & MOs

Info

ID:	216255
PubChem CID:	85085955
Reduced:	OC5H6 (3)
Stoich.:	AB5C6 (3)
Weight, g/mol:	246.125594
ΔH_f, kcal/mol:	-122.52
Dipole, Da:	6.02
IP(EA), eV:	-9.55(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hexylidene-8-hydroxy-4H-chromen-2-one

Drug info:

PubChemData

Smile

CC12CCC(C1CC(=O)O2)OCC3=CC=CC=C3

DOS

IR

Vibrations