Geometry & MOs

Info

ID:	265804
PubChem CID:	103547706
Reduced:	O4C13H16 (1)
Stoich.:	A4B13C16 (1)
Weight, g/mol:	223.084458
ΔH_f, kcal/mol:	-160.35
Dipole, Da:	1.84
IP(EA), eV:	-9.42(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-(2-carbamoylphenoxy)butanoic acid

Drug info:

PubChemData

Smile

CCC(=O)C1=CC=C(C=C1)O[C@H](C)CC(=O)O

DOS

IR

Vibrations