Geometry & MOs

Info

ID:	258675
PubChem CID:	103156185
Reduced:	NO2C5H8 (2)
Stoich.:	AB2C5D8 (2)
Weight, g/mol:	390.03281
ΔH_f, kcal/mol:	-122.52
Dipole, Da:	6.97
IP(EA), eV:	-9.91(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(CC(=O)N(CC#C)CC(=O)O)CN

DOS

IR

Vibrations