Geometry & MOs

Info

ID:	30900
PubChem CID:	853747
Reduced:	ClHNC4 (2)
Stoich.:	ABCD4 (2)
Weight, g/mol:	223.084458
ΔH_f, kcal/mol:	77.41
Dipole, Da:	4.2
IP(EA), eV:	-10.34(-1.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-acetamido-3-(4-hydroxyphenyl)propanoic acid

Drug info:

PubChemData

Smile

C1=C(C(=CC(=C1Cl)Cl)C#N)C#N

DOS

IR

Vibrations