Geometry & MOs

Info

ID:	246002
PubChem CID:	103035251
Reduced:	BrClO2C14H20 (1)
Stoich.:	ABC2D14E20 (1)
Weight, g/mol:	284.235145
ΔH_f, kcal/mol:	-107.33
Dipole, Da:	2.35
IP(EA), eV:	-9.65(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methoxy-4-methylpentan-1-one

Drug info:

PubChemData

Smile

CC(C)(CCC(C)(C1=C(C=C(C=C1)Br)Cl)O)OC

DOS

IR

Vibrations