Geometry & MOs

Info

ID:	57373
PubChem CID:	22395770
Reduced:	O2C9H16 (1)
Stoich.:	A2B9C16 (1)
Weight, g/mol:	226.156895
ΔH_f, kcal/mol:	-106.27
Dipole, Da:	4.82
IP(EA), eV:	-9.74(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z,6E)-2-tert-butyl-4-methoxyocta-2,6-dienoic acid

Drug info:

PubChemData

Smile

C/C=C/C(C)CCCC(=O)O

DOS

IR

Vibrations