Geometry & MOs

Info

ID:	293720
PubChem CID:	117397610
Reduced:	ClNO3C12H16 (1)
Stoich.:	ABC3D12E16 (1)
Weight, g/mol:	257.081871
ΔH_f, kcal/mol:	-123.4
Dipole, Da:	4.74
IP(EA), eV:	-9.33(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-4-(6-chloro-2-methoxy-3-methylphenyl)butanoic acid

Drug info:

PubChemData

Smile

COCC1=C(C=C(C=C1)C(CCC(=O)O)N)Cl

DOS

IR

Vibrations