Geometry & MOs

Info

ID:	147936
PubChem CID:	53787596
Reduced:	O3C15H22 (1)
Stoich.:	A3B15C22 (1)
Weight, g/mol:	229.050571
ΔH_f, kcal/mol:	-122.11
Dipole, Da:	3.91
IP(EA), eV:	-9.52(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-3-[3-(chloromethyl)-4-hydroxyphenyl]propanoic acid

Drug info:

PubChemData

Smile

CC(CCCC(=C)C)C=CC(=O)C(=CC(=O)O)C

DOS

IR

Vibrations