Geometry & MOs

Info

ID:	259906
PubChem CID:	103176960
Reduced:	ClN2O4C14H21 (1)
Stoich.:	AB2C4D14E21 (1)
Weight, g/mol:	299.100502
ΔH_f, kcal/mol:	-161.56
Dipole, Da:	6.73
IP(EA), eV:	-8.47(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(3-methoxypropoxy)ethoxy]-4-nitrobenzoic acid

Drug info:

PubChemData

Smile

COCCCOCCOCC(=O)NC1=CC(=C(C=C1)Cl)N

DOS

IR

Vibrations