Geometry & MOs

Info

ID:	221179
PubChem CID:	85257143
Reduced:	IO2C10H13 (1)
Stoich.:	AB2C10D13 (1)
Weight, g/mol:	292.131074
ΔH_f, kcal/mol:	-52.73
Dipole, Da:	2.66
IP(EA), eV:	-8.83(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(oxan-2-yloxy)but-2-enoxy]benzoic acid

Drug info:

PubChemData

Smile

CC(C1=C(C=CC(=C1)OC)I)OC

DOS

IR

Vibrations