Geometry & MOs

Info

ID:	263084
PubChem CID:	103339020
Reduced:	ON2C13H16 (1)
Stoich.:	AB2C13D16 (1)
Weight, g/mol:	280.105922
ΔH_f, kcal/mol:	31.45
Dipole, Da:	3.87
IP(EA), eV:	-8.58(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-methoxyethyl(prop-2-enyl)amino]-2-nitrobenzoic acid

Drug info:

PubChemData

Smile

COCCN(CC=C)C1=CC=CC=C1C#N

DOS

IR

Vibrations