Geometry & MOs

Info

ID:	12027
PubChem CID:	126411
Reduced:	O2C13H18 (1)
Stoich.:	A2B13C18 (1)
Weight, g/mol:	206.13068
ΔH_f, kcal/mol:	-74.34
Dipole, Da:	3.55
IP(EA), eV:	-9.4(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-2-(2-methylcyclohex-2-en-1-yl)-2H-pyran-5-one

Drug info:

PubChemData

Smile

CC1C(=O)C=CC(O1)C2CCCC=C2C

DOS

IR

Vibrations