Geometry & MOs

Info

ID:	265806
PubChem CID:	103547769
Reduced:	O3C12H22 (1)
Stoich.:	A3B12C22 (1)
Weight, g/mol:	181.073893
ΔH_f, kcal/mol:	-173.52
Dipole, Da:	4.06
IP(EA), eV:	-10.0(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-pyridin-3-yloxybutanoic acid

Drug info:

PubChemData

Smile

CCC1CCCCC1O[C@H](C)CC(=O)O

DOS

IR

Vibrations