Geometry & MOs

Info

ID:	283410
PubChem CID:	103979745
Reduced:	ClO2C7H8 (2)
Stoich.:	AB2C7D8 (2)
Weight, g/mol:	231.089543
ΔH_f, kcal/mol:	-183.47
Dipole, Da:	5.48
IP(EA), eV:	-9.32(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-benzoxazol-2-yl)cyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1)Cl)C(C2CCCC2C(=O)O)O)Cl

DOS

IR

Vibrations