Geometry & MOs

Info

ID:	397053
PubChem CID:	135029654
Reduced:	OC5H8 (2)
Stoich.:	AB5C8 (2)
Weight, g/mol:	274.156895
ΔH_f, kcal/mol:	-81.01
Dipole, Da:	2.1
IP(EA), eV:	-10.2(0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclohexyl-2-hydroxy-3,3-dimethylchromen-4-one

Drug info:

PubChemData

Smile

CCC(CC=C)OC(=O)CC=C

DOS

IR

Vibrations