Geometry & MOs

Info

ID:	379881
PubChem CID:	134963554
Reduced:	OC12H22 (1)
Stoich.:	AB12C22 (1)
Weight, g/mol:	180.11503
ΔH_f, kcal/mol:	-69.64
Dipole, Da:	3.11
IP(EA), eV:	-9.89(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCC[C@H](CC(=O)CC(C)C)C=C

DOS

IR

Vibrations