Geometry & MOs

Info

ID:	228937
PubChem CID:	87566294
Reduced:	NO2C11H13 (2)
Stoich.:	AB2C11D13 (2)
Weight, g/mol:	324.214803
ΔH_f, kcal/mol:	-88.62
Dipole, Da:	3.3
IP(EA), eV:	-8.39(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butoxyacetic acid;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol

Drug info:

PubChemData

Smile

CC(CCC1=CC2=C(C=C1)OC(=N2)/C=C/C3=CC(=C(C=C3)OC)OC)(CO)N

DOS

IR

Vibrations