Geometry & MOs

Info

ID:	261531
PubChem CID:	103238743
Reduced:	BrN2O3C8H15 (1)
Stoich.:	AB2C3D8E15 (1)
Weight, g/mol:	262.095357
ΔH_f, kcal/mol:	-141.5
Dipole, Da:	4.08
IP(EA), eV:	-9.39(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[(3-amino-3-oxopropyl)amino]methyl]-1-benzofuran-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(=O)NCCNCC(C(=O)OC)Br

DOS

IR

Vibrations