Geometry & MOs

Info

ID:	294844
PubChem CID:	117499226
Reduced:	BrNO3C13H16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	313.03136
ΔH_f, kcal/mol:	-103.44
Dipole, Da:	2.86
IP(EA), eV:	-8.52(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-3-[3-bromo-2-(cyclopropylmethoxy)phenyl]propanoic acid

Drug info:

PubChemData

Smile

C1CC(CNC1)C2=CC3=C(C(=C2O)Br)OCCO3

DOS

IR

Vibrations