Geometry & MOs

Info

ID:	294535
PubChem CID:	117467951
Reduced:	ClFNO4C12H13 (1)
Stoich.:	ABCD4E12F13 (1)
Weight, g/mol:	289.0717
ΔH_f, kcal/mol:	-197.7
Dipole, Da:	5.85
IP(EA), eV:	-8.77(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-2-(3-chloro-2,5,6-trimethoxyphenyl)propanoic acid

Drug info:

PubChemData

Smile

COC1=CC(=C(C(=C1O)C2CC(CN2)C(=O)O)Cl)F

DOS

IR

Vibrations