Geometry & MOs

Info

ID:	251305
PubChem CID:	103102939
Reduced:	NO2C4H8 (2)
Stoich.:	AB2C4D8 (2)
Weight, g/mol:	328.04226
ΔH_f, kcal/mol:	-194.74
Dipole, Da:	8.0
IP(EA), eV:	-9.5(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC(CC(=O)O)O)CC(=O)N

DOS

IR

Vibrations