Geometry & MOs

Info

ID:	262011
PubChem CID:	103266124
Reduced:	NSO2C11H23 (1)
Stoich.:	ABC2D11E23 (1)
Weight, g/mol:	249.136493
ΔH_f, kcal/mol:	-126.36
Dipole, Da:	1.79
IP(EA), eV:	-8.03(1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[(3-methylcyclobutyl)amino]ethoxy]benzoic acid

Drug info:

PubChemData

Smile

CC(CSC)NCCC(=O)OC(C)(C)C

DOS

IR

Vibrations