Geometry & MOs

Info

ID:	255984
PubChem CID:	103136062
Reduced:	O3C10H18 (1)
Stoich.:	A3B10C18 (1)
Weight, g/mol:	242.188195
ΔH_f, kcal/mol:	-166.65
Dipole, Da:	5.25
IP(EA), eV:	-9.82(0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-2-[(5-methyloxolan-2-yl)methyl]hexanoic acid

Drug info:

PubChemData

Smile

CC1CCC(O1)CC(C)(C)C(=O)O

DOS

IR

Vibrations