Geometry & MOs

Info

ID:	31022
PubChem CID:	854117
Reduced:	NC8H12 (2)
Stoich.:	AB8C12 (2)
Weight, g/mol:	184.109944
ΔH_f, kcal/mol:	6.91
Dipole, Da:	2.34
IP(EA), eV:	-8.71(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(1R)-2-oxocyclohexyl]acetate

Drug info:

PubChemData

Smile

C[C@H](CC1=CC=CC=C1)N[C@H]2CN3CCC2CC3

DOS

IR

Vibrations