Geometry & MOs

Info

ID:	49076
PubChem CID:	11528683
Reduced:	O3C13H20 (1)
Stoich.:	A3B13C20 (1)
Weight, g/mol:	224.17763
ΔH_f, kcal/mol:	-107.34
Dipole, Da:	4.64
IP(EA), eV:	-10.26(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylbutyl 3-cyclohexylidenepropanoate

Drug info:

PubChemData

Smile

C[C@@H](CC#CC(=O)C)COC1CCCCO1

DOS

IR

Vibrations