Geometry & MOs

Info

ID:	258673
PubChem CID:	103156182
Reduced:	N2O4C11H22 (1)
Stoich.:	A2B4C11D22 (1)
Weight, g/mol:	278.151809
ΔH_f, kcal/mol:	-202.16
Dipole, Da:	5.51
IP(EA), eV:	-9.64(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-cyclopentyl-2-hydroxypropoxy)-2-methylbenzoic acid

Drug info:

PubChemData

Smile

CC(C)(C)N(CC(=O)O)C(=O)CC(CN)OC

DOS

IR

Vibrations