Geometry & MOs

Info

ID:	293722
PubChem CID:	117397617
Reduced:	ClNO3C12H16 (1)
Stoich.:	ABC3D12E16 (1)
Weight, g/mol:	257.081871
ΔH_f, kcal/mol:	-147.09
Dipole, Da:	4.54
IP(EA), eV:	-9.31(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-3-(6-chloro-3-methoxy-2,4-dimethylphenyl)propanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1C(CCC(=O)O)N)O)Cl)C

DOS

IR

Vibrations