Geometry & MOs

Info

ID:	261832
PubChem CID:	103253953
Reduced:	NO4C12H17 (1)
Stoich.:	AB4C12D17 (1)
Weight, g/mol:	291.183444
ΔH_f, kcal/mol:	-155.26
Dipole, Da:	4.3
IP(EA), eV:	-9.23(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[(3-ethyl-2-methylcyclopentyl)amino]ethoxy]benzoic acid

Drug info:

PubChemData

Smile

C1CCC(C1)(CNCC2=C(OC=C2)C(=O)O)O

DOS

IR

Vibrations