Geometry & MOs

Info

ID:	292917
PubChem CID:	117364086
Reduced:	BrO2C10H13 (1)
Stoich.:	AB2C10D13 (1)
Weight, g/mol:	245.116427
ΔH_f, kcal/mol:	-71.32
Dipole, Da:	2.3
IP(EA), eV:	-9.42(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-2-[4-(1-methylimidazol-2-yl)phenyl]propanoic acid

Drug info:

PubChemData

Smile

CC(C1=C(C=CC=C1Br)COC)O

DOS

IR

Vibrations