Geometry & MOs

Info

ID:	258671
PubChem CID:	103156179
Reduced:	N2O3C10H22 (1)
Stoich.:	A2B3C10D22 (1)
Weight, g/mol:	282.126737
ΔH_f, kcal/mol:	-160.27
Dipole, Da:	2.87
IP(EA), eV:	-9.46(1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-cyclopentyl-2-hydroxypropoxy)-5-fluorobenzoic acid

Drug info:

PubChemData

Smile

CC(C)C(CO)NC(=O)CC(CN)OC

DOS

IR

Vibrations