Geometry & MOs

Info

ID:	13388
PubChem CID:	228528
Reduced:	O3C12H14 (1)
Stoich.:	A3B12C14 (1)
Weight, g/mol:	206.094294
ΔH_f, kcal/mol:	-97.67
Dipole, Da:	3.92
IP(EA), eV:	-9.43(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-but-1-enylphenoxy)acetic acid

Drug info:

PubChemData

Smile

CCC=CC1=CC=CC=C1OCC(=O)O

DOS

IR

Vibrations