Geometry & MOs

Info

ID:	388022
PubChem CID:	134987879
Reduced:	O2C13H22 (1)
Stoich.:	A2B13C22 (1)
Weight, g/mol:	252.172545
ΔH_f, kcal/mol:	-121.47
Dipole, Da:	3.1
IP(EA), eV:	-9.59(0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,3-dimethoxypropyl)-2-methyl-5-prop-1-en-2-ylcyclohex-3-en-1-one

Drug info:

PubChemData

Smile

C1CCCC2(CCCC[C@@H]2O)C(=O)CC1

DOS

IR

Vibrations