Geometry & MOs

Info

ID:	261930
PubChem CID:	103259587
Reduced:	BrClNO2C12H13 (1)
Stoich.:	ABCD2E12F13 (1)
Weight, g/mol:	229.077265
ΔH_f, kcal/mol:	-66.07
Dipole, Da:	5.81
IP(EA), eV:	-8.94(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-2-[(3-methylthiophen-2-yl)methylamino]propanoic acid

Drug info:

PubChemData

Smile

CC/C(=C/CNC1=C(C=CC(=C1)Cl)Br)/C(=O)O

DOS

IR

Vibrations