Geometry & MOs

Info

ID:	50720
PubChem CID:	12013303
Reduced:	O3C17H18 (1)
Stoich.:	A3B17C18 (1)
Weight, g/mol:	314.05176
ΔH_f, kcal/mol:	-100.14
Dipole, Da:	6.24
IP(EA), eV:	-9.99(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-oxo-6-prop-2-enylcyclohexen-1-yl) 3-bromo-2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CC(=C)CC1CCC(=O)CC12C3=CC=CC=C3C(=O)O2

DOS

IR

Vibrations