Geometry & MOs

Info

ID:	261968
PubChem CID:	103262837
Reduced:	N2O4C13H24 (1)
Stoich.:	A2B4C13D24 (1)
Weight, g/mol:	354.05791
ΔH_f, kcal/mol:	-201.15
Dipole, Da:	4.28
IP(EA), eV:	-9.24(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-4-[[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]methyl]benzoic acid

Drug info:

PubChemData

Smile

CCOC(=O)CC(CNC(C)C(=O)N1CCCC1)O

DOS

IR

Vibrations