Geometry & MOs

Info

ID:	407622
PubChem CID:	135080371
Reduced:	O2C13H24 (1)
Stoich.:	A2B13C24 (1)
Weight, g/mol:	248.159642
ΔH_f, kcal/mol:	-134.89
Dipole, Da:	3.14
IP(EA), eV:	-9.6(2.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4-dimethyl-5-(3-trimethylsilylprop-2-ynylidene)cycloheptan-1-one

Drug info:

PubChemData

Smile

C1CCC(CC1)[C@H]2CCCC(O2)CCO

DOS

IR

Vibrations