Geometry & MOs

Info

ID:	251311
PubChem CID:	103102967
Reduced:	N2O4C11H16 (1)
Stoich.:	A2B4C11D16 (1)
Weight, g/mol:	314.0266
ΔH_f, kcal/mol:	-156.23
Dipole, Da:	6.51
IP(EA), eV:	-9.64(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(2-amino-2-oxoethyl)-ethylamino]methyl]-3-bromobenzoic acid

Drug info:

PubChemData

Smile

CCN(CC1=CC(=C(O1)C)C(=O)O)CC(=O)N

DOS

IR

Vibrations