Geometry & MOs

Info

ID:	293721
PubChem CID:	117397613
Reduced:	ClNO3C12H16 (1)
Stoich.:	ABC3D12E16 (1)
Weight, g/mol:	257.081871
ΔH_f, kcal/mol:	-124.8
Dipole, Da:	4.62
IP(EA), eV:	-9.35(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-4-(3-chloro-2-hydroxy-4,6-dimethylphenyl)butanoic acid

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)Cl)C(CCC(=O)O)N)OC

DOS

IR

Vibrations