Geometry & MOs

Info

ID:	341077
PubChem CID:	127263512
Reduced:	FO4H15C17 (1)
Stoich.:	AB4C15D17 (1)
Weight, g/mol:	209.081871
ΔH_f, kcal/mol:	-165.97
Dipole, Da:	4.84
IP(EA), eV:	-9.49(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-3-(oxan-4-yl)propanoic acid;hydrochloride

Drug info:

PubChemData

Smile

C1C(OC2=C1C=C(C=C2)C(=O)O)COCC3=CC=C(C=C3)F

DOS

IR

Vibrations