Geometry & MOs

Info

ID:	260211
PubChem CID:	103184857
Reduced:	NO2C17H27 (1)
Stoich.:	AB2C17D27 (1)
Weight, g/mol:	294.146724
ΔH_f, kcal/mol:	-86.15
Dipole, Da:	4.16
IP(EA), eV:	-8.9(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(3-methoxypropoxy)ethyl]-2,3-dihydrochromene-4-carboxylic acid

Drug info:

PubChemData

Smile

COCCCOCCC1(CCC2=CC=CC=C2C1)CN

DOS

IR

Vibrations