Geometry & MOs

Info

ID:	50982
PubChem CID:	12013588
Reduced:	O4C11H18 (1)
Stoich.:	A4B11C18 (1)
Weight, g/mol:	242.151809
ΔH_f, kcal/mol:	-190.58
Dipole, Da:	3.33
IP(EA), eV:	-10.05(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-ethyl-6-oxo-3-propoxycyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

CCC1C(CCC(=O)C1C(=O)OC)OC

DOS

IR

Vibrations