Geometry & MOs

Info

ID:	23598
PubChem CID:	604854
Reduced:	O3C16H16 (1)
Stoich.:	A3B16C16 (1)
Weight, g/mol:	256.109944
ΔH_f, kcal/mol:	-90.89
Dipole, Da:	3.45
IP(EA), eV:	-8.61(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclohexylidene-5-(4-hydroxyphenyl)furan-2-one

Drug info:

PubChemData

Smile

C1CCC(=C2C=C(OC2=O)C3=CC=C(C=C3)O)CC1

DOS

IR

Vibrations