Geometry & MOs

Info

ID:	294121
PubChem CID:	117427314
Reduced:	ClNO3C13H16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	269.081871
ΔH_f, kcal/mol:	-126.61
Dipole, Da:	3.92
IP(EA), eV:	-8.62(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-3-(3-chloro-4-cyclopropyl-5-methoxyphenyl)propanoic acid

Drug info:

PubChemData

Smile

CC1CC2=C(O1)C(=CC(=C2)C(CCC(=O)O)N)Cl

DOS

IR

Vibrations