Geometry & MOs

Info

ID:	19067
PubChem CID:	554078
Reduced:	BrNO2C9H10 (1)
Stoich.:	ABC2D9E10 (1)
Weight, g/mol:	242.98949
ΔH_f, kcal/mol:	-65.42
Dipole, Da:	2.18
IP(EA), eV:	-10.01(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-(3-bromophenyl)propanoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Br)CC(C(=O)O)N

DOS

IR

Vibrations