Geometry & MOs

Info

ID:	339085
PubChem CID:	127260337
Reduced:	NO2H13C14 (1)
Stoich.:	AB2C13D14 (1)
Weight, g/mol:	249.172879
ΔH_f, kcal/mol:	-26.7
Dipole, Da:	3.17
IP(EA), eV:	-9.33(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-aminooctyl benzoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)OC2=CC=CC=C2CN

DOS

IR

Vibrations