Geometry & MOs

Info

ID:	264802
PubChem CID:	103490739
Reduced:	NO2C13H27 (1)
Stoich.:	AB2C13D27 (1)
Weight, g/mol:	224.104859
ΔH_f, kcal/mol:	-120.29
Dipole, Da:	1.26
IP(EA), eV:	-8.92(1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-ethoxypropan-2-yloxy)benzoic acid

Drug info:

PubChemData

Smile

CCOCC(C)OCCCNC1CCCC1

DOS

IR

Vibrations