Geometry & MOs

Info

ID:	319758
PubChem CID:	126657199
Reduced:	NOC6H9 (2)
Stoich.:	ABC6D9 (2)
Weight, g/mol:	319.214744
ΔH_f, kcal/mol:	8.9
Dipole, Da:	0.22
IP(EA), eV:	-9.24(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(azacycloundec-1-yl)ethoxy]benzoic acid

Drug info:

PubChemData

Smile

C1CCC23CC(CC2(C1)CC(C3)N=O)N=O

DOS

IR

Vibrations