Geometry & MOs

Info

ID:	251312
PubChem CID:	103102979
Reduced:	BrN2O3C12H15 (1)
Stoich.:	AB2C3D12E15 (1)
Weight, g/mol:	250.131742
ΔH_f, kcal/mol:	-106.37
Dipole, Da:	6.85
IP(EA), eV:	-9.57(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[[(2-amino-2-oxoethyl)-ethylamino]methyl]phenyl]acetic acid

Drug info:

PubChemData

Smile

CCN(CC1=C(C=C(C=C1)C(=O)O)Br)CC(=O)N

DOS

IR

Vibrations