Geometry & MOs

Info

ID:	229327
PubChem CID:	87567416
Reduced:	O2C11H20 (1)
Stoich.:	A2B11C20 (1)
Weight, g/mol:	184.14633
ΔH_f, kcal/mol:	-113.65
Dipole, Da:	5.11
IP(EA), eV:	-9.65(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-ethyl-2-methyloct-5-enoic acid

Drug info:

PubChemData

Smile

CC/C=C\CCC(C)(CC)C(=O)O

DOS

IR

Vibrations